2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid

C17H16N2O4 — CID 108804791

IUPAC2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-8-6-12(7-9-13)10-16(21)19-15-5-3-2-4-14(15)17(22)23/h2-9H,10H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyZGNWWLRYDFSYRU-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.52
Rot. Bonds5

About 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid

2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid (PubChem CID 108804791) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid
PubChem CID108804791
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid
SMILESCC(=O)Nc1ccc(CC(=O)Nc2ccccc2C(=O)O)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-8-6-12(7-9-13)10-16(21)19-15-5-3-2-4-14(15)17(22)23/h2-9H,10H2,1H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyZGNWWLRYDFSYRU-UHFFFAOYSA-N
XLogP2.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
2-(4-acetamidophenyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 87030997
2-(4-acetamidophenyl)-N-(2-methoxyphenyl)acetamide
CID 17410326
CID 170843062
CID 170843062
2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55921108
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-(4-acetamidophenyl)-N-[2-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 108792688
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
N-methyl-2-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]benzamide
CID 166421201
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid (CID 108804791) is 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid is CC(=O)Nc1ccc(CC(=O)Nc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid?
The InChIKey is ZGNWWLRYDFSYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(20)18-13-8-6-12(7-9-13)10-16(21)19-15-5-3-2-4-14(15)17(22)23/h2-9H,10H2,1H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid?
2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid has a molecular weight of 312.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidophenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 108804791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).