4-(3-acetamidophenyl)benzoate

C15H12NO3- — CID 86306420

IUPAC4-(3-acetamidophenyl)benzoate
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C15H13NO3/c1-10(17)16-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)/p-1
InChIKeyPNAHHGWAOXLJLM-UHFFFAOYSA-M
MW254.26 g/mol
LogP1.68
Rot. Bonds3

About 4-(3-acetamidophenyl)benzoate

4-(3-acetamidophenyl)benzoate (PubChem CID 86306420) has the molecular formula C15H12NO3- and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)benzoate.

Molecular Properties

Compound Name4-(3-acetamidophenyl)benzoate
PubChem CID86306420
Molecular FormulaC15H12NO3-
Molecular Weight254.26 g/mol
Exact Mass254.08
IUPAC Name4-(3-acetamidophenyl)benzoate
SMILESCC(=O)Nc1cccc(-c2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C15H13NO3/c1-10(17)16-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)/p-1
InChIKeyPNAHHGWAOXLJLM-UHFFFAOYSA-M
XLogP1.68
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carbamoylphenyl)benzoate
CID 86307207
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
4-[[3-(4-acetyloxyphenyl)benzoyl]amino]benzoate
CID 2329700
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560
N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide
CID 58904339
3-(3-acetamidophenyl)-5-aminobenzoic acid
CID 53227021
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
(3-phenylphenyl)carbamic acid
CID 611602
N-(4-phenylphenyl)acetamide
CID 19998
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
4-(3-acetamidophenyl)-3-fluorobenzoic acid
CID 53227028

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)benzoate?
The IUPAC name of 4-(3-acetamidophenyl)benzoate (CID 86306420) is 4-(3-acetamidophenyl)benzoate.
What is the SMILES notation for 4-(3-acetamidophenyl)benzoate?
The canonical SMILES for 4-(3-acetamidophenyl)benzoate is CC(=O)Nc1cccc(-c2ccc(C(=O)[O-])cc2)c1.
What is the InChIKey of 4-(3-acetamidophenyl)benzoate?
The InChIKey is PNAHHGWAOXLJLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13NO3/c1-10(17)16-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)/p-1.
What are the key properties of 4-(3-acetamidophenyl)benzoate?
4-(3-acetamidophenyl)benzoate has a molecular weight of 254.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)benzoate is sourced from PubChem (CID 86306420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).