3-[3-(3-chlorophenyl)propoxy]benzamide

C16H16ClNO2 — CID 166630204

IUPAC3-[3-(3-chlorophenyl)propoxy]benzamide
SMILESNC(=O)c1cccc(OCCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2/c17-14-7-1-4-12(10-14)5-3-9-20-15-8-2-6-13(11-15)16(18)19/h1-2,4,6-8,10-11H,3,5,9H2,(H2,18,19)
InChIKeyUHMHUMICZHWTSU-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.45
Rot. Bonds6

About 3-[3-(3-chlorophenyl)propoxy]benzamide

3-[3-(3-chlorophenyl)propoxy]benzamide (PubChem CID 166630204) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)propoxy]benzamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)propoxy]benzamide
PubChem CID166630204
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-[3-(3-chlorophenyl)propoxy]benzamide
SMILESNC(=O)c1cccc(OCCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO2/c17-14-7-1-4-12(10-14)5-3-9-20-15-8-2-6-13(11-15)16(18)19/h1-2,4,6-8,10-11H,3,5,9H2,(H2,18,19)
InChIKeyUHMHUMICZHWTSU-UHFFFAOYSA-N
XLogP3.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-(3-chlorophenyl)propoxy]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)propoxy]benzamide?
The IUPAC name of 3-[3-(3-chlorophenyl)propoxy]benzamide (CID 166630204) is 3-[3-(3-chlorophenyl)propoxy]benzamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)propoxy]benzamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)propoxy]benzamide is NC(=O)c1cccc(OCCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[3-(3-chlorophenyl)propoxy]benzamide?
The InChIKey is UHMHUMICZHWTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-7-1-4-12(10-14)5-3-9-20-15-8-2-6-13(11-15)16(18)19/h1-2,4,6-8,10-11H,3,5,9H2,(H2,18,19).
What are the key properties of 3-[3-(3-chlorophenyl)propoxy]benzamide?
3-[3-(3-chlorophenyl)propoxy]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)propoxy]benzamide is sourced from PubChem (CID 166630204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).