N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C19H15BrClFN2O2 — CID 90956337

IUPACN-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1Cl
InChIInChI=1S/C19H15BrClFN2O2/c1-11-8-17(15(20)10-16(11)21)23-19(26)24-7-6-14(25)9-18(24)12-2-4-13(22)5-3-12/h2-8,10,18H,9H2,1H3,(H,23,26)
InChIKeyNNKBCSWYCQYVEH-UHFFFAOYSA-N
MW437.70 g/mol
LogP5.61
Rot. Bonds2

About N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 90956337) has the molecular formula C19H15BrClFN2O2 and a molecular weight of 437.70 g/mol. Its IUPAC name is N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID90956337
Molecular FormulaC19H15BrClFN2O2
Molecular Weight437.70 g/mol
Exact Mass436.00
IUPAC NameN-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1Cl
InChIInChI=1S/C19H15BrClFN2O2/c1-11-8-17(15(20)10-16(11)21)23-19(26)24-7-6-14(25)9-18(24)12-2-4-13(22)5-3-12/h2-8,10,18H,9H2,1H3,(H,23,26)
InChIKeyNNKBCSWYCQYVEH-UHFFFAOYSA-N
XLogP5.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-5-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]benzoic acid
CID 140552851
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377750
(2S)-N-[2-bromo-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chlorophenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377792
(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377887
(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377807
tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate
CID 66906909
(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377771
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377730
2-[3-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetic acid
CID 46832070
N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
CID 46831213
tert-butyl 2-[3-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetate
CID 66907361
sodium;2-bromo-4-chloro-5-iodoaniline;1-bromo-5-chloro-2-isocyanato-4-methylsulfanylbenzene;2-bromo-4-chloro-5-methylsulfanylaniline;(2S)-N-(2-bromo-4-chloro-5-methylsulfanylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide;(2S)-N-(2-bromo-4-chloro-5-methylsulfinylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide;(2S)-N-(2-bromo-4-chloro-5-methylsulfonylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide;(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-pyridin-4-one;methanethiolate
CID 157126007

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 90956337) is N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is Cc1cc(NC(=O)N2C=CC(=O)CC2c2ccc(F)cc2)c(Br)cc1Cl.
What is the InChIKey of N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is NNKBCSWYCQYVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClFN2O2/c1-11-8-17(15(20)10-16(11)21)23-19(26)24-7-6-14(25)9-18(24)12-2-4-13(22)5-3-12/h2-8,10,18H,9H2,1H3,(H,23,26).
What are the key properties of N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 437.70 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 90956337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).