2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide

C15H21ClN2O2 — CID 62031823

IUPAC2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-4-17-14(19)10-18(5-2)11(3)15(20)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyWSMLJNAGLBSUKM-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds7

About 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide

2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide (PubChem CID 62031823) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
PubChem CID62031823
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-4-17-14(19)10-18(5-2)11(3)15(20)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyWSMLJNAGLBSUKM-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide 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-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 60680295
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62037462
1-(4-chlorophenyl)-2-[ethyl(2-methylbutyl)amino]propan-1-one
CID 79476971
4-chloro-N-[1-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55368558
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106
1-(4-chlorophenyl)-2-(ethylamino)propan-1-one;hydrochloride
CID 131851401
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62052939
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
1-(3,4-difluorophenyl)-2-[ethyl(propyl)amino]propan-1-one
CID 43795368
2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 62035540
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 8682562

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide (CID 62031823) is 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
The InChIKey is WSMLJNAGLBSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-17-14(19)10-18(5-2)11(3)15(20)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 62031823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).