Name: Name:2-Propenamide, N-[3-[[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]-
Brand: Angene
SKU: AG0013AP
Rating: 90 (10 reviews)

2-Propenamide, N-[3-[[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]-

CAS No.:

1374507-25-1

Catalog Number:

AG0013AP

Molecular Formula:

C14H10ClF3N4O

Molecular Weight:

342.7036

Catalog Number:

AG0013AP

Chemical Name:

2-Propenamide, N-[3-[[2-chloro-5-(trifluoromethyl)-4-pyrimidinyl]amino]phenyl]-

CAS Number:

1374507-25-1

Molecular Formula:

C14H10ClF3N4O

Molecular Weight:

342.7036

IUPAC Name:

N-[3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide

InChI:

InChI=1S/C14H10ClF3N4O/c1-2-11(23)20-8-4-3-5-9(6-8)21-12-10(14(16,17)18)7-19-13(15)22-12/h2-7H,1H2,(H,20,23)(H,19,21,22)

InChI Key:

AXMHVOLJINONIM-UHFFFAOYSA-N

SMILES:

C=CC(=O)Nc1cccc(c1)Nc1nc(Cl)ncc1C(F)(F)F

Complexity:

435

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

342.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

342.706g/mol

Monoisotopic Mass:

342.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7