2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid

C16H16N2O4 — CID 18929239

IUPAC2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
SMILESCOc1ccccc1NCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H16N2O4/c1-22-14-9-5-4-8-13(14)17-10-15(19)18-12-7-3-2-6-11(12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyFHGJHKUIDAUMEQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.44
Rot. Bonds6

About 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid

2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid (PubChem CID 18929239) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
PubChem CID18929239
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
SMILESCOc1ccccc1NCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C16H16N2O4/c1-22-14-9-5-4-8-13(14)17-10-15(19)18-12-7-3-2-6-11(12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyFHGJHKUIDAUMEQ-UHFFFAOYSA-N
XLogP2.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
2-(2,5-dimethylanilino)-N-(2-methoxyphenyl)acetamide
CID 9079653
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid (CID 18929239) is 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid is COc1ccccc1NCC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid?
The InChIKey is FHGJHKUIDAUMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-22-14-9-5-4-8-13(14)17-10-15(19)18-12-7-3-2-6-11(12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid?
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid is sourced from PubChem (CID 18929239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).