N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide

C18H15FN4O3 — CID 174832575

IUPACN-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc[nH]2)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3/c1-26-16-8-13(22-18(25)15-9-20-10-21-15)6-7-14(16)23-17(24)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,20,21)(H,22,25)(H,23,24)
InChIKeyFUJALADAWUGZMV-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide

N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide (PubChem CID 174832575) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide
PubChem CID174832575
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnc[nH]2)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3/c1-26-16-8-13(22-18(25)15-9-20-10-21-15)6-7-14(16)23-17(24)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,20,21)(H,22,25)(H,23,24)
InChIKeyFUJALADAWUGZMV-UHFFFAOYSA-N
XLogP3.06
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
N-(4-fluoro-2-methoxyphenyl)-4-sulfanylbenzamide
CID 107025880
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 46460746
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 47783030
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(4-fluoro-2-methoxyphenyl)-4-methylsulfonylbenzamide
CID 32608747

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide (CID 174832575) is N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide is COc1cc(NC(=O)c2cnc[nH]2)ccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide?
The InChIKey is FUJALADAWUGZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-26-16-8-13(22-18(25)15-9-20-10-21-15)6-7-14(16)23-17(24)11-2-4-12(19)5-3-11/h2-10H,1H3,(H,20,21)(H,22,25)(H,23,24).
What are the key properties of N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide?
N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 174832575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).