(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C19H13BrF4N2O3 — CID 59377807

IUPAC(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESO=C1C=CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H13BrF4N2O3/c20-15-10-14(29-19(22,23)24)5-6-16(15)25-18(28)26-8-7-13(27)9-17(26)11-1-3-12(21)4-2-11/h1-8,10,17H,9H2,(H,25,28)/t17-/m0/s1
InChIKeyJCFVONBBRFAODC-KRWDZBQOSA-N
MW473.22 g/mol
LogP5.55
Rot. Bonds3

About (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 59377807) has the molecular formula C19H13BrF4N2O3 and a molecular weight of 473.22 g/mol. Its IUPAC name is (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID59377807
Molecular FormulaC19H13BrF4N2O3
Molecular Weight473.22 g/mol
Exact Mass472.00
IUPAC Name(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESO=C1C=CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H13BrF4N2O3/c20-15-10-14(29-19(22,23)24)5-6-16(15)25-18(28)26-8-7-13(27)9-17(26)11-1-3-12(21)4-2-11/h1-8,10,17H,9H2,(H,25,28)/t17-/m0/s1
InChIKeyJCFVONBBRFAODC-KRWDZBQOSA-N
XLogP5.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.22
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377750
tert-butyl 5-bromo-4-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methoxybenzoate
CID 66906909
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377730
N-(2-bromo-4-chloro-5-methylphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 90956337
4-bromo-2-chloro-5-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]benzoic acid
CID 140552851
(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
tert-butyl 2-[3-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetate
CID 66907361
(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377771
N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-methylpropanamide
CID 22048751
N-[2-bromo-4-(trifluoromethoxy)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22621238
1-[2-bromo-4-(trifluoromethoxy)phenyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 97327842
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 59377807) is (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is O=C1C=CN(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is JCFVONBBRFAODC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H13BrF4N2O3/c20-15-10-14(29-19(22,23)24)5-6-16(15)25-18(28)26-8-7-13(27)9-17(26)11-1-3-12(21)4-2-11/h1-8,10,17H,9H2,(H,25,28)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
(2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 473.22 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-bromo-4-(trifluoromethoxy)phenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 59377807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).