4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid

C15H11ClFNO3 — CID 171463767

IUPAC4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid
SMILESCc1ccccc1NC(=O)c1cc(C(=O)O)c(F)cc1Cl
InChIInChI=1S/C15H11ClFNO3/c1-8-4-2-3-5-13(8)18-14(19)9-6-10(15(20)21)12(17)7-11(9)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyRCNYYSPVZMPJCB-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid

4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid (PubChem CID 171463767) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid
PubChem CID171463767
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid
SMILESCc1ccccc1NC(=O)c1cc(C(=O)O)c(F)cc1Cl
InChIInChI=1S/C15H11ClFNO3/c1-8-4-2-3-5-13(8)18-14(19)9-6-10(15(20)21)12(17)7-11(9)16/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyRCNYYSPVZMPJCB-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-4-chloro-6-fluoro-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 171345378
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
2-chloro-N-(2-fluorophenyl)-5-methylbenzamide
CID 122630269
N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
CID 992682
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
methyl 4-chloro-2-fluoro-5-[[2-methyl-4-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 171463797
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid (CID 171463767) is 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid is Cc1ccccc1NC(=O)c1cc(C(=O)O)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid?
The InChIKey is RCNYYSPVZMPJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c1-8-4-2-3-5-13(8)18-14(19)9-6-10(15(20)21)12(17)7-11(9)16/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid?
4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid has a molecular weight of 307.71 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 171463767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).