2-(3-anilino-3-oxopropoxy)benzoic acid

C16H15NO4 — CID 43310235

IUPAC2-(3-anilino-3-oxopropoxy)benzoic acid
SMILESO=C(CCOc1ccccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(17-12-6-2-1-3-7-12)10-11-21-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyBGMMNQGSUQGTIB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.79
Rot. Bonds6

About 2-(3-anilino-3-oxopropoxy)benzoic acid

2-(3-anilino-3-oxopropoxy)benzoic acid (PubChem CID 43310235) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3-anilino-3-oxopropoxy)benzoic acid.

Molecular Properties

Compound Name2-(3-anilino-3-oxopropoxy)benzoic acid
PubChem CID43310235
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(3-anilino-3-oxopropoxy)benzoic acid
SMILESO=C(CCOc1ccccc1C(=O)O)Nc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(17-12-6-2-1-3-7-12)10-11-21-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyBGMMNQGSUQGTIB-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-anilino-3-oxopropoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
N-phenyl-3-prop-2-enoxypropanamide
CID 102196182
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
N-(4-bromophenyl)-3-(2-fluorophenoxy)propanamide
CID 26913928
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilino-3-oxopropoxy)benzoic acid?
The IUPAC name of 2-(3-anilino-3-oxopropoxy)benzoic acid (CID 43310235) is 2-(3-anilino-3-oxopropoxy)benzoic acid.
What is the SMILES notation for 2-(3-anilino-3-oxopropoxy)benzoic acid?
The canonical SMILES for 2-(3-anilino-3-oxopropoxy)benzoic acid is O=C(CCOc1ccccc1C(=O)O)Nc1ccccc1.
What is the InChIKey of 2-(3-anilino-3-oxopropoxy)benzoic acid?
The InChIKey is BGMMNQGSUQGTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(17-12-6-2-1-3-7-12)10-11-21-14-9-5-4-8-13(14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-(3-anilino-3-oxopropoxy)benzoic acid?
2-(3-anilino-3-oxopropoxy)benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilino-3-oxopropoxy)benzoic acid is sourced from PubChem (CID 43310235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).