2-(3-methoxyanilino)benzoate

C14H12NO3- — CID 6943552

IUPAC2-(3-methoxyanilino)benzoate
SMILESCOc1cccc(Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1
InChIKeySSRGDXQQJKAWKX-UHFFFAOYSA-M
MW242.25 g/mol
LogP1.80
Rot. Bonds4

About 2-(3-methoxyanilino)benzoate

2-(3-methoxyanilino)benzoate (PubChem CID 6943552) has the molecular formula C14H12NO3- and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(3-methoxyanilino)benzoate.

Molecular Properties

Compound Name2-(3-methoxyanilino)benzoate
PubChem CID6943552
Molecular FormulaC14H12NO3-
Molecular Weight242.25 g/mol
Exact Mass242.08
IUPAC Name2-(3-methoxyanilino)benzoate
SMILESCOc1cccc(Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1
InChIKeySSRGDXQQJKAWKX-UHFFFAOYSA-M
XLogP1.80
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725
2-(3-methoxyanilino)-N-[2-(methylamino)propyl]benzamide;dihydrochloride
CID 120826494
2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
CID 119449915
4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
CID 119173444
2-[(3-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945257
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
1-[2-(3-methoxyanilino)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257609
(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone
CID 119377562
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)benzoate?
The IUPAC name of 2-(3-methoxyanilino)benzoate (CID 6943552) is 2-(3-methoxyanilino)benzoate.
What is the SMILES notation for 2-(3-methoxyanilino)benzoate?
The canonical SMILES for 2-(3-methoxyanilino)benzoate is COc1cccc(Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-(3-methoxyanilino)benzoate?
The InChIKey is SSRGDXQQJKAWKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)/p-1.
What are the key properties of 2-(3-methoxyanilino)benzoate?
2-(3-methoxyanilino)benzoate has a molecular weight of 242.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)benzoate is sourced from PubChem (CID 6943552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).