6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid

C15H20ClNO4 — CID 60934091

IUPAC6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCCCC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-2-9-21-13-8-7-11(16)10-12(13)17-14(18)5-3-4-6-15(19)20/h7-8,10H,2-6,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyVMUSDUDWUSOQBR-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.71
Rot. Bonds9

About 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid

6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid (PubChem CID 60934091) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
PubChem CID60934091
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
SMILESCCCOc1ccc(Cl)cc1NC(=O)CCCCC(=O)O
InChIInChI=1S/C15H20ClNO4/c1-2-9-21-13-8-7-11(16)10-12(13)17-14(18)5-3-4-6-15(19)20/h7-8,10H,2-6,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyVMUSDUDWUSOQBR-UHFFFAOYSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic 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-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
3-[(5-chloro-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076804
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
CID 164852021
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid?
The IUPAC name of 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid (CID 60934091) is 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid?
The canonical SMILES for 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid is CCCOc1ccc(Cl)cc1NC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid?
The InChIKey is VMUSDUDWUSOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-2-9-21-13-8-7-11(16)10-12(13)17-14(18)5-3-4-6-15(19)20/h7-8,10H,2-6,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid?
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid has a molecular weight of 313.78 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid is sourced from PubChem (CID 60934091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).