N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide

C13H19ClN2O — CID 55097238

IUPACN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
SMILESCNC(C)C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9(15-3)13(17)16(4)10(2)11-7-5-6-8-12(11)14/h5-10,15H,1-4H3
InChIKeyOADSHCPXRHCJAR-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide

N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide (PubChem CID 55097238) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
PubChem CID55097238
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
SMILESCNC(C)C(=O)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O/c1-9(15-3)13(17)16(4)10(2)11-7-5-6-8-12(11)14/h5-10,15H,1-4H3
InChIKeyOADSHCPXRHCJAR-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
2-carbamothioyl-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 62986265
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62729337
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
N-[1-(2-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76979752
N-methyl-2-(methylamino)-N-[1-(4-methylphenyl)ethyl]propanamide
CID 62637498
N-[1-(2-chlorophenyl)ethyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80592129
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
CID 62978074

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide (CID 55097238) is N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide is CNC(C)C(=O)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
The InChIKey is OADSHCPXRHCJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(15-3)13(17)16(4)10(2)11-7-5-6-8-12(11)14/h5-10,15H,1-4H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide?
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 55097238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).