chempirical

N-(2-Amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]benzamide

C22H19FN4O2CAS 743420-02-2390.42 g/mol

Open in Covalent MOL file
H2NFHNONHON
AlkeneAmideAryl halidePrimary amine

Properties

Molecular formula
C22H19FN4O2
Molar mass
390.42 g/mol
Exact mass
390.1492 Da
logP
4.23Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

Identifiers

CAS number
743420-02-2
SMILES
Nc1ccc(F)cc1NC(=O)c1ccc(CN=C(O)C=Cc2cccnc2)cc1
InChIKey
WXHHICFWKXDFOW-UHFFFAOYSA-N
InChI
InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)

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Names and synonyms

2 names
  • Benzamide, N-(2-amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]-
  • Benzamide, N-(2-amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propenyl]amino]methyl]-

Work with N-(2-Amino-5-fluorophenyl)-4-[[[1-oxo-3-(3-pyridinyl)-2-propen-1-yl]amino]methyl]benzamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Entinostat209783-80-251 % similar 3-(3-Pyridinyl)-2-propenoic acid1126-74-538 % similar trans-3-(3-Pyridyl)acrylic acid19337-97-438 % similar Mocetinostat726169-73-938 % similar (2E)-N-[4-(1-Benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide658084-64-138 % similar Tacedinaline112522-64-233 % similar (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-833 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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