5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid

C19H14ClFN4O4 — CID 126482623

IUPAC5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid
SMILESCn1cnc(C(=O)O)c1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C19H14ClFN4O4/c1-25-9-22-15(19(28)29)16(25)18(27)23-10-6-7-14(13(21)8-10)24-17(26)11-4-2-3-5-12(11)20/h2-9H,1H3,(H,23,27)(H,24,26)(H,28,29)
InChIKeyLUSJSLZXLCGRSA-UHFFFAOYSA-N
MW416.80 g/mol
LogP3.42
Rot. Bonds5

About 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid

5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid (PubChem CID 126482623) has the molecular formula C19H14ClFN4O4 and a molecular weight of 416.80 g/mol. Its IUPAC name is 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid
PubChem CID126482623
Molecular FormulaC19H14ClFN4O4
Molecular Weight416.80 g/mol
Exact Mass416.07
IUPAC Name5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid
SMILESCn1cnc(C(=O)O)c1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C19H14ClFN4O4/c1-25-9-22-15(19(28)29)16(25)18(27)23-10-6-7-14(13(21)8-10)24-17(26)11-4-2-3-5-12(11)20/h2-9H,1H3,(H,23,27)(H,24,26)(H,28,29)
InChIKeyLUSJSLZXLCGRSA-UHFFFAOYSA-N
XLogP3.42
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.80
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424174
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
1-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419872
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide
CID 71919701
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
N-(4-chloro-3-fluorophenyl)-2-iodo-3-methylbenzamide
CID 47227866
N-(3-benzamido-4-chlorophenyl)-2-fluorobenzamide
CID 1104031

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid?
The IUPAC name of 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid (CID 126482623) is 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid is Cn1cnc(C(=O)O)c1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid?
The InChIKey is LUSJSLZXLCGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O4/c1-25-9-22-15(19(28)29)16(25)18(27)23-10-6-7-14(13(21)8-10)24-17(26)11-4-2-3-5-12(11)20/h2-9H,1H3,(H,23,27)(H,24,26)(H,28,29).
What are the key properties of 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid?
5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid has a molecular weight of 416.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]carbamoyl]-1-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 126482623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).