(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C21H20ClFN2O3 — CID 59377887

IUPAC(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCc1cc(Cl)c(CCO)cc1NC(=O)N1C=CC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2O3/c1-13-10-18(22)15(7-9-26)11-19(13)24-21(28)25-8-6-17(27)12-20(25)14-2-4-16(23)5-3-14/h2-6,8,10-11,20,26H,7,9,12H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeySVUBYQKROAFDEZ-FQEVSTJZSA-N
MW402.85 g/mol
LogP4.38
Rot. Bonds4

About (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 59377887) has the molecular formula C21H20ClFN2O3 and a molecular weight of 402.85 g/mol. Its IUPAC name is (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID59377887
Molecular FormulaC21H20ClFN2O3
Molecular Weight402.85 g/mol
Exact Mass402.11
IUPAC Name(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCc1cc(Cl)c(CCO)cc1NC(=O)N1C=CC(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C21H20ClFN2O3/c1-13-10-18(22)15(7-9-26)11-19(13)24-21(28)25-8-6-17(27)12-20(25)14-2-4-16(23)5-3-14/h2-6,8,10-11,20,26H,7,9,12H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeySVUBYQKROAFDEZ-FQEVSTJZSA-N
XLogP4.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 90956337
(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377771
2-[3-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetic acid
CID 46832070
4-bromo-2-chloro-5-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]benzoic acid
CID 140552851
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377730
tert-butyl 2-[3-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetate
CID 66907361
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-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377807
N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
CID 46831213
(2S)-2-(3-fluorophenyl)-N-(1-methylindazol-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377808
2-(3,5-difluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 68604414

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 59377887) is (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is Cc1cc(Cl)c(CCO)cc1NC(=O)N1C=CC(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is SVUBYQKROAFDEZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClFN2O3/c1-13-10-18(22)15(7-9-26)11-19(13)24-21(28)25-8-6-17(27)12-20(25)14-2-4-16(23)5-3-14/h2-6,8,10-11,20,26H,7,9,12H2,1H3,(H,24,28)/t20-/m0/s1.
What are the key properties of (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 402.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 59377887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).