N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide

C18H21ClN2O — CID 109021380

IUPACN-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-2-21(16-9-4-3-5-10-16)13-12-18(22)20-14-15-8-6-7-11-17(15)19/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyDUCZYLOGOIQKJN-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.87
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide

N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide (PubChem CID 109021380) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
PubChem CID109021380
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)NCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-2-21(16-9-4-3-5-10-16)13-12-18(22)20-14-15-8-6-7-11-17(15)19/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyDUCZYLOGOIQKJN-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)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

3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 109021357
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116338
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
CID 134110940

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide (CID 109021380) is N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide is CCN(CCC(=O)NCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide?
The InChIKey is DUCZYLOGOIQKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-21(16-9-4-3-5-10-16)13-12-18(22)20-14-15-8-6-7-11-17(15)19/h3-11H,2,12-14H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide?
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide has a molecular weight of 316.83 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide is sourced from PubChem (CID 109021380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).