2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid

C21H16ClNO4 — CID 174641958

IUPAC2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
SMILESCOc1cc(-c2ccc(C(=O)O)c(NC(=O)c3ccccc3)c2)ccc1Cl
InChIInChI=1S/C21H16ClNO4/c1-27-19-12-15(8-10-17(19)22)14-7-9-16(21(25)26)18(11-14)23-20(24)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyGQSRRHIKSJWTBB-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.97
Rot. Bonds5

About 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid

2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid (PubChem CID 174641958) has the molecular formula C21H16ClNO4 and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
PubChem CID174641958
Molecular FormulaC21H16ClNO4
Molecular Weight381.82 g/mol
Exact Mass381.08
IUPAC Name2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid
SMILESCOc1cc(-c2ccc(C(=O)O)c(NC(=O)c3ccccc3)c2)ccc1Cl
InChIInChI=1S/C21H16ClNO4/c1-27-19-12-15(8-10-17(19)22)14-7-9-16(21(25)26)18(11-14)23-20(24)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyGQSRRHIKSJWTBB-UHFFFAOYSA-N
XLogP4.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195
2-[(2-hydroxy-3-methoxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853580
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
2-benzamido-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 67342853
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
methyl 2-[(3,5-dichlorobenzoyl)amino]-4-phenylbenzoate
CID 146601280

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid?
The IUPAC name of 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid (CID 174641958) is 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid.
What is the SMILES notation for 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid?
The canonical SMILES for 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid is COc1cc(-c2ccc(C(=O)O)c(NC(=O)c3ccccc3)c2)ccc1Cl.
What is the InChIKey of 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid?
The InChIKey is GQSRRHIKSJWTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO4/c1-27-19-12-15(8-10-17(19)22)14-7-9-16(21(25)26)18(11-14)23-20(24)13-5-3-2-4-6-13/h2-12H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid?
2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid has a molecular weight of 381.82 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-(4-chloro-3-methoxyphenyl)benzoic acid is sourced from PubChem (CID 174641958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).