4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid

C15H12ClNO4 — CID 53228064

IUPAC4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccc(Cl)c(C(N)=O)c2)ccc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c1-21-13-7-9(2-4-10(13)15(19)20)8-3-5-12(16)11(6-8)14(17)18/h2-7H,1H3,(H2,17,18)(H,19,20)
InChIKeyKCVULHJXNQTPES-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.81
Rot. Bonds4

About 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid

4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid (PubChem CID 53228064) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
PubChem CID53228064
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid
SMILESCOc1cc(-c2ccc(Cl)c(C(N)=O)c2)ccc1C(=O)O
InChIInChI=1S/C15H12ClNO4/c1-21-13-7-9(2-4-10(13)15(19)20)8-3-5-12(16)11(6-8)14(17)18/h2-7H,1H3,(H2,17,18)(H,19,20)
InChIKeyKCVULHJXNQTPES-UHFFFAOYSA-N
XLogP2.81
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53228513
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
4-(2-chlorophenyl)-2-methoxybenzoic acid
CID 53225805
4-(3-aminophenyl)-2-methoxybenzoic acid
CID 53224921
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
4-chloro-2-methoxybenzamide
CID 19741766
2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 175262677
4-(2,5-dichlorothiophen-3-yl)-2-methoxybenzoic acid
CID 57398512
4-[amino(chloro)amino]-2-methoxybenzoic acid
CID 89409844

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid (CID 53228064) is 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid is COc1cc(-c2ccc(Cl)c(C(N)=O)c2)ccc1C(=O)O.
What is the InChIKey of 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid?
The InChIKey is KCVULHJXNQTPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-21-13-7-9(2-4-10(13)15(19)20)8-3-5-12(16)11(6-8)14(17)18/h2-7H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid?
4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-4-chlorophenyl)-2-methoxybenzoic acid is sourced from PubChem (CID 53228064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).