Name: Name:3-Acetamido-2-nitrophenyl 4-(benzyl(methyl)amino)-3,5-difluorobenzoate
Brand: Angene
SKU: AG01D8S0
Rating: 90 (10 reviews)

3-Acetamido-2-nitrophenyl 4-(benzyl(methyl)amino)-3,5-difluorobenzoate

CAS No.:

1864061-72-2

Catalog Number:

AG01D8S0

Molecular Formula:

C23H19F2N3O5

Molecular Weight:

455.4109

Catalog Number:

AG01D8S0

Chemical Name:

3-Acetamido-2-nitrophenyl 4-(benzyl(methyl)amino)-3,5-difluorobenzoate

CAS Number:

1864061-72-2

Molecular Formula:

C23H19F2N3O5

Molecular Weight:

455.4109

MDL Number:

MFCD27978602

IUPAC Name:

(3-acetamido-2-nitrophenyl) 4-[benzyl(methyl)amino]-3,5-difluorobenzoate

InChI:

InChI=1S/C23H19F2N3O5/c1-14(29)26-19-9-6-10-20(22(19)28(31)32)33-23(30)16-11-17(24)21(18(25)12-16)27(2)13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,26,29)

InChI Key:

BOCLOAWUCMIZJR-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1cccc(c1[N+](=O)[O-])OC(=O)c1cc(F)c(c(c1)F)N(Cc1ccccc1)C

Complexity:

688

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

455.129g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

455.418g/mol

Monoisotopic Mass:

455.129g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7