2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide

C15H21ClN2O2 — CID 62037610

IUPAC2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-4-8-17-14(19)10-18(3)11(2)15(20)12-6-5-7-13(16)9-12/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,19)
InChIKeyWFWVXXFDPBLUAG-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.37
Rot. Bonds7

About 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide

2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide (PubChem CID 62037610) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
PubChem CID62037610
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-4-8-17-14(19)10-18(3)11(2)15(20)12-6-5-7-13(16)9-12/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,19)
InChIKeyWFWVXXFDPBLUAG-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

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Related Compounds

2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62037462
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050758
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
1-(3-chlorophenyl)-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 62031336
2-[[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62036106
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-one
CID 62052677
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
(2R)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356945

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide (CID 62037610) is 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
The InChIKey is WFWVXXFDPBLUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-8-17-14(19)10-18(3)11(2)15(20)12-6-5-7-13(16)9-12/h5-7,9,11H,4,8,10H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide?
2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide 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-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 62037610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).