2-(3-benzoyl-2-formamidophenyl)acetic acid

C16H13NO4 — CID 168651167

IUPAC2-(3-benzoyl-2-formamidophenyl)acetic acid
SMILESO=CNc1c(CC(=O)O)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO4/c18-10-17-15-12(9-14(19)20)7-4-8-13(15)16(21)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18)(H,19,20)
InChIKeyFUHPBJCVWLWEAP-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.11
Rot. Bonds6

About 2-(3-benzoyl-2-formamidophenyl)acetic acid

2-(3-benzoyl-2-formamidophenyl)acetic acid (PubChem CID 168651167) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(3-benzoyl-2-formamidophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-benzoyl-2-formamidophenyl)acetic acid
PubChem CID168651167
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name2-(3-benzoyl-2-formamidophenyl)acetic acid
SMILESO=CNc1c(CC(=O)O)cccc1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO4/c18-10-17-15-12(9-14(19)20)7-4-8-13(15)16(21)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18)(H,19,20)
InChIKeyFUHPBJCVWLWEAP-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
2-[2-(4-fluorobenzoyl)phenyl]acetic acid
CID 132556862
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
2,3-dibenzoylbenzaldehyde
CID 54496315
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
N-(2-benzoyl-4-fluorophenyl)formamide
CID 168651173
2-(3-benzoyl-2-chlorophenyl)acetonitrile
CID 12909830
phenyl-[2-[(Z)-4-phenylbut-3-enyl]phenyl]methanone
CID 10519200
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 71881144

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoyl-2-formamidophenyl)acetic acid?
The IUPAC name of 2-(3-benzoyl-2-formamidophenyl)acetic acid (CID 168651167) is 2-(3-benzoyl-2-formamidophenyl)acetic acid.
What is the SMILES notation for 2-(3-benzoyl-2-formamidophenyl)acetic acid?
The canonical SMILES for 2-(3-benzoyl-2-formamidophenyl)acetic acid is O=CNc1c(CC(=O)O)cccc1C(=O)c1ccccc1.
What is the InChIKey of 2-(3-benzoyl-2-formamidophenyl)acetic acid?
The InChIKey is FUHPBJCVWLWEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-10-17-15-12(9-14(19)20)7-4-8-13(15)16(21)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-(3-benzoyl-2-formamidophenyl)acetic acid?
2-(3-benzoyl-2-formamidophenyl)acetic acid has a molecular weight of 283.28 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoyl-2-formamidophenyl)acetic acid is sourced from PubChem (CID 168651167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).