4-(3-anilino-3-oxopropoxy)benzoic acid

C16H15NO4 — CID 43243922

IUPAC4-(3-anilino-3-oxopropoxy)benzoic acid
SMILESO=C(CCOc1ccc(C(=O)O)cc1)Nc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(17-13-4-2-1-3-5-13)10-11-21-14-8-6-12(7-9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyZHDXLUZAUDBQOT-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.79
Rot. Bonds6

About 4-(3-anilino-3-oxopropoxy)benzoic acid

4-(3-anilino-3-oxopropoxy)benzoic acid (PubChem CID 43243922) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-(3-anilino-3-oxopropoxy)benzoic acid.

Molecular Properties

Compound Name4-(3-anilino-3-oxopropoxy)benzoic acid
PubChem CID43243922
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-(3-anilino-3-oxopropoxy)benzoic acid
SMILESO=C(CCOc1ccc(C(=O)O)cc1)Nc1ccccc1
InChIInChI=1S/C16H15NO4/c18-15(17-13-4-2-1-3-5-13)10-11-21-14-8-6-12(7-9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKeyZHDXLUZAUDBQOT-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

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Related Compounds

3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
4-(3-hydrazinyl-3-oxopropoxy)benzoic acid
CID 23136072
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
2-(3-anilino-3-oxopropoxy)benzoic acid
CID 43310235
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
N-[3,5-bis(trifluoromethyl)phenyl]-3-phenoxypropanamide
CID 108795497

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-3-oxopropoxy)benzoic acid?
The IUPAC name of 4-(3-anilino-3-oxopropoxy)benzoic acid (CID 43243922) is 4-(3-anilino-3-oxopropoxy)benzoic acid.
What is the SMILES notation for 4-(3-anilino-3-oxopropoxy)benzoic acid?
The canonical SMILES for 4-(3-anilino-3-oxopropoxy)benzoic acid is O=C(CCOc1ccc(C(=O)O)cc1)Nc1ccccc1.
What is the InChIKey of 4-(3-anilino-3-oxopropoxy)benzoic acid?
The InChIKey is ZHDXLUZAUDBQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(17-13-4-2-1-3-5-13)10-11-21-14-8-6-12(7-9-14)16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 4-(3-anilino-3-oxopropoxy)benzoic acid?
4-(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 4-(3-anilino-3-oxopropoxy)benzoic acid is sourced from PubChem (CID 43243922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).