2-(2-chloroanilino)-5-methoxybenzoate

C14H11ClNO3- — CID 7098725

IUPAC2-(2-chloroanilino)-5-methoxybenzoate
SMILESCOc1ccc(Nc2ccccc2Cl)c(C(=O)[O-])c1
InChIInChI=1S/C14H12ClNO3/c1-19-9-6-7-12(10(8-9)14(17)18)16-13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyAREZHPKMIIHYHM-UHFFFAOYSA-M
MW276.70 g/mol
LogP2.46
Rot. Bonds4

About 2-(2-chloroanilino)-5-methoxybenzoate

2-(2-chloroanilino)-5-methoxybenzoate (PubChem CID 7098725) has the molecular formula C14H11ClNO3- and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-(2-chloroanilino)-5-methoxybenzoate.

Molecular Properties

Compound Name2-(2-chloroanilino)-5-methoxybenzoate
PubChem CID7098725
Molecular FormulaC14H11ClNO3-
Molecular Weight276.70 g/mol
Exact Mass276.04
IUPAC Name2-(2-chloroanilino)-5-methoxybenzoate
SMILESCOc1ccc(Nc2ccccc2Cl)c(C(=O)[O-])c1
InChIInChI=1S/C14H12ClNO3/c1-19-9-6-7-12(10(8-9)14(17)18)16-13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyAREZHPKMIIHYHM-UHFFFAOYSA-M
XLogP2.46
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-5-methoxybenzoate
CID 6928297
2-(3-methoxyanilino)benzoate
CID 6943552
(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
CID 134907446
methyl 5-amino-2-(2-chloroanilino)benzoate
CID 61305288
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone
CID 82536619
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
4-(2-chloroanilino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 18590638
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-5-methoxybenzoate?
The IUPAC name of 2-(2-chloroanilino)-5-methoxybenzoate (CID 7098725) is 2-(2-chloroanilino)-5-methoxybenzoate.
What is the SMILES notation for 2-(2-chloroanilino)-5-methoxybenzoate?
The canonical SMILES for 2-(2-chloroanilino)-5-methoxybenzoate is COc1ccc(Nc2ccccc2Cl)c(C(=O)[O-])c1.
What is the InChIKey of 2-(2-chloroanilino)-5-methoxybenzoate?
The InChIKey is AREZHPKMIIHYHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClNO3/c1-19-9-6-7-12(10(8-9)14(17)18)16-13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)/p-1.
What are the key properties of 2-(2-chloroanilino)-5-methoxybenzoate?
2-(2-chloroanilino)-5-methoxybenzoate has a molecular weight of 276.70 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-5-methoxybenzoate is sourced from PubChem (CID 7098725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).