5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide

C17H17Cl2NO2 — CID 100529406

IUPAC5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-22-16-9-8-13(18)11-14(16)17(21)20-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,20,21)
InChIKeyWQMRFRAYKGGLDE-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.36
Rot. Bonds6

About 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide

5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide (PubChem CID 100529406) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide
PubChem CID100529406
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCc1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-22-16-9-8-13(18)11-14(16)17(21)20-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,20,21)
InChIKeyWQMRFRAYKGGLDE-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide 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

5-chloro-N'-[3-(2-chlorophenyl)propanoyl]-2-methoxybenzohydrazide
CID 36915541
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100717544
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
CID 100529695
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
5-chloro-N-[2-(4-iodophenyl)ethyl]-2-methoxybenzamide
CID 10645534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide (CID 100529406) is 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCCc1ccccc1Cl.
What is the InChIKey of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide?
The InChIKey is WQMRFRAYKGGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-22-16-9-8-13(18)11-14(16)17(21)20-10-4-6-12-5-2-3-7-15(12)19/h2-3,5,7-9,11H,4,6,10H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide?
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide has a molecular weight of 338.23 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide is sourced from PubChem (CID 100529406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).