3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide

C18H20ClNO3 — CID 17179095

IUPAC3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1cccc(NC(=O)CCc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-22-11-12-23-16-7-4-6-15(13-16)20-18(21)10-9-14-5-2-3-8-17(14)19/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyIUMDZUCVDWVIJM-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.94
Rot. Bonds8

About 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide

3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide (PubChem CID 17179095) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
PubChem CID17179095
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
SMILESCOCCOc1cccc(NC(=O)CCc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-22-11-12-23-16-7-4-6-15(13-16)20-18(21)10-9-14-5-2-3-8-17(14)19/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyIUMDZUCVDWVIJM-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide 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

2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
3-(2-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]propanamide
CID 17179421
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 17179033
3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
CID 54795478
N-(3-bromophenyl)-3-(2-chlorophenyl)propanamide
CID 17252222
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
CID 38939684

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide (CID 17179095) is 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide is COCCOc1cccc(NC(=O)CCc2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide?
The InChIKey is IUMDZUCVDWVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-22-11-12-23-16-7-4-6-15(13-16)20-18(21)10-9-14-5-2-3-8-17(14)19/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide?
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide is sourced from PubChem (CID 17179095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).