2-acetamido-5-phenylbenzoic acid

C15H13NO3 — CID 70700127

IUPAC2-acetamido-5-phenylbenzoic acid
SMILESCC(=O)Nc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C15H13NO3/c1-10(17)16-14-8-7-12(9-13(14)15(18)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyFNVIQUDGELCWMG-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.01
Rot. Bonds3

About 2-acetamido-5-phenylbenzoic acid

2-acetamido-5-phenylbenzoic acid (PubChem CID 70700127) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-acetamido-5-phenylbenzoic acid.

Molecular Properties

Compound Name2-acetamido-5-phenylbenzoic acid
PubChem CID70700127
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-acetamido-5-phenylbenzoic acid
SMILESCC(=O)Nc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C15H13NO3/c1-10(17)16-14-8-7-12(9-13(14)15(18)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyFNVIQUDGELCWMG-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-2-(propanoylamino)benzoic acid
CID 155717934
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405742
2-acetamido-5-(2-phenylethenyl)benzoic acid
CID 70120363
CID 170843062
CID 170843062
2-acetamido-5-(phenylcarbamoylamino)benzoic acid
CID 3020564
2-acetamido-5-tert-butylbenzoic acid
CID 42560637
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
5-(3-acetamidophenyl)-2-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 10275124
N-(4-phenylphenyl)acetamide
CID 19998
5-(3-acetamidophenyl)-2-hydroxybenzoic acid
CID 10978560
2-[(2-acetyloxy-5-phenylbenzoyl)amino]-4-phenylbenzoic acid
CID 89038090

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-phenylbenzoic acid?
The IUPAC name of 2-acetamido-5-phenylbenzoic acid (CID 70700127) is 2-acetamido-5-phenylbenzoic acid.
What is the SMILES notation for 2-acetamido-5-phenylbenzoic acid?
The canonical SMILES for 2-acetamido-5-phenylbenzoic acid is CC(=O)Nc1ccc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-acetamido-5-phenylbenzoic acid?
The InChIKey is FNVIQUDGELCWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10(17)16-14-8-7-12(9-13(14)15(18)19)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-5-phenylbenzoic acid?
2-acetamido-5-phenylbenzoic acid has a molecular weight of 255.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-phenylbenzoic acid is sourced from PubChem (CID 70700127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).