N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide

C21H14ClFN4O — CID 58006446

IUPACN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cncc(F)c1
InChIInChI=1S/C21H14ClFN4O/c22-18-7-6-16(26-21(28)14-8-15(23)11-24-10-14)9-17(18)20-25-12-19(27-20)13-4-2-1-3-5-13/h1-12H,(H,25,27)(H,26,28)
InChIKeyLJPHMDLFWJRYSV-UHFFFAOYSA-N
MW392.82 g/mol
LogP5.18
Rot. Bonds4

About N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide (PubChem CID 58006446) has the molecular formula C21H14ClFN4O and a molecular weight of 392.82 g/mol. Its IUPAC name is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
PubChem CID58006446
Molecular FormulaC21H14ClFN4O
Molecular Weight392.82 g/mol
Exact Mass392.08
IUPAC NameN-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cncc(F)c1
InChIInChI=1S/C21H14ClFN4O/c22-18-7-6-16(26-21(28)14-8-15(23)11-24-10-14)9-17(18)20-25-12-19(27-20)13-4-2-1-3-5-13/h1-12H,(H,25,27)(H,26,28)
InChIKeyLJPHMDLFWJRYSV-UHFFFAOYSA-N
XLogP5.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.82
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]quinoline-3-carboxamide
CID 24789075
2,3-dichloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]benzamide
CID 58006486
2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
CID 174577479
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
CID 58006536
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methylbenzamide
CID 58006485
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-propoxypyridine-4-carboxamide
CID 58006497
2-chloro-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-4-methylsulfonylbenzamide
CID 58006484
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-methoxy-2-methylpyridine-3-carboxamide
CID 58006454
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-methyl-3-propan-2-yloxybenzamide
CID 58006451
4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
CID 162063457
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;hydrochloride
CID 162317763

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide (CID 58006446) is N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1cncc(F)c1.
What is the InChIKey of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is LJPHMDLFWJRYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O/c22-18-7-6-16(26-21(28)14-8-15(23)11-24-10-14)9-17(18)20-25-12-19(27-20)13-4-2-1-3-5-13/h1-12H,(H,25,27)(H,26,28).
What are the key properties of N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide?
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 392.82 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 58006446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).