N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C19H14BrFN4O3 — CID 59377750

IUPACN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESO=C1C=CN(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)C(c2ccc(F)cc2)C1
InChIInChI=1S/C19H14BrFN4O3/c20-13-8-15-16(23-18(27)22-15)9-14(13)24-19(28)25-6-5-12(26)7-17(25)10-1-3-11(21)4-2-10/h1-6,8-9,17H,7H2,(H,24,28)(H2,22,23,27)
InChIKeyIWSYTKKSMDALHG-UHFFFAOYSA-N
MW445.25 g/mol
LogP3.82
Rot. Bonds2

About N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 59377750) has the molecular formula C19H14BrFN4O3 and a molecular weight of 445.25 g/mol. Its IUPAC name is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID59377750
Molecular FormulaC19H14BrFN4O3
Molecular Weight445.25 g/mol
Exact Mass444.02
IUPAC NameN-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESO=C1C=CN(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)C(c2ccc(F)cc2)C1
InChIInChI=1S/C19H14BrFN4O3/c20-13-8-15-16(23-18(27)22-15)9-14(13)24-19(28)25-6-5-12(26)7-17(25)10-1-3-11(21)4-2-10/h1-6,8-9,17H,7H2,(H,24,28)(H2,22,23,27)
InChIKeyIWSYTKKSMDALHG-UHFFFAOYSA-N
XLogP3.82
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.25
LogP ≤ 53.82
H-Bond Donors ≤ 53
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
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-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
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377730
(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
N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
CID 46831213
2-[3-[[(2S)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetic acid
CID 46832070
(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377887
(2S)-2-(4-fluorophenyl)-N-(7-methylquinolin-6-yl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377771
tert-butyl 2-[3-[[2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carbonyl]amino]-2-methylphenyl]acetate
CID 66907361
1-[2-(2-bromo-4-ethoxy-5-methoxyphenyl)acetyl]-2-(4-fluorophenyl)-2,3-dihydropyridin-4-one
CID 66906095

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 59377750) is N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is O=C1C=CN(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)C(c2ccc(F)cc2)C1.
What is the InChIKey of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is IWSYTKKSMDALHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN4O3/c20-13-8-15-16(23-18(27)22-15)9-14(13)24-19(28)25-6-5-12(26)7-17(25)10-1-3-11(21)4-2-10/h1-6,8-9,17H,7H2,(H,24,28)(H2,22,23,27).
What are the key properties of N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 445.25 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 59377750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).