2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

C16H22ClN3O2 — CID 84869554

IUPAC2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCC(NC(=O)CN(C)CC(=O)NC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-11(13-5-3-4-6-14(13)17)18-15(21)9-20(2)10-16(22)19-12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIRJKZBFZRDTPCN-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.73
Rot. Bonds7

About 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide

2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 84869554) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
PubChem CID84869554
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
SMILESCC(NC(=O)CN(C)CC(=O)NC1CC1)c1ccccc1Cl
InChIInChI=1S/C16H22ClN3O2/c1-11(13-5-3-4-6-14(13)17)18-15(21)9-20(2)10-16(22)19-12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIRJKZBFZRDTPCN-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide 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-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053730
N-(2-chlorophenyl)-2-[[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 9037030
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973443
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825178
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912445
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
2-[bis(2-methoxyethyl)amino]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 78807153

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide (CID 84869554) is 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is CC(NC(=O)CN(C)CC(=O)NC1CC1)c1ccccc1Cl.
What is the InChIKey of 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is IRJKZBFZRDTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11(13-5-3-4-6-14(13)17)18-15(21)9-20(2)10-16(22)19-12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 323.82 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 84869554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).