2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone

C15H19Cl2NO — CID 60649750

IUPAC2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(Cl)c(Cl)c1)CC1CC1
InChIInChI=1S/C15H19Cl2NO/c1-2-7-18(9-11-3-4-11)10-15(19)12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyHYZFPXAKLGAYMX-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.30
Rot. Bonds7

About 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone

2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone (PubChem CID 60649750) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
PubChem CID60649750
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(Cl)c(Cl)c1)CC1CC1
InChIInChI=1S/C15H19Cl2NO/c1-2-7-18(9-11-3-4-11)10-15(19)12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3
InChIKeyHYZFPXAKLGAYMX-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone 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

1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
CID 60679704
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 60649749
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(ethyl)amino]ethanone
CID 107399792
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 60679763
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 60679615
2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 43219722
2-[cyclopropylmethyl(propyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60649803
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone
CID 62909830
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone (CID 60649750) is 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone is CCCN(CC(=O)c1ccc(Cl)c(Cl)c1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is HYZFPXAKLGAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-2-7-18(9-11-3-4-11)10-15(19)12-5-6-13(16)14(17)8-12/h5-6,8,11H,2-4,7,9-10H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone?
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 300.23 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 60649750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).