(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride

C12H17Cl3N2O — CID 119286052

IUPAC(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-7(15)12(17)16(3)8(2)10-5-4-9(13)6-11(10)14;/h4-8H,15H2,1-3H3;1H/t7-,8?;/m0./s1
InChIKeyIVWSCMKKJDMKEW-JPPWUZRISA-N
MW311.64 g/mol
LogP3.28
Rot. Bonds3

About (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride (PubChem CID 119286052) has the molecular formula C12H17Cl3N2O and a molecular weight of 311.64 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
PubChem CID119286052
Molecular FormulaC12H17Cl3N2O
Molecular Weight311.64 g/mol
Exact Mass310.04
IUPAC Name(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-7(15)12(17)16(3)8(2)10-5-4-9(13)6-11(10)14;/h4-8H,15H2,1-3H3;1H/t7-,8?;/m0./s1
InChIKeyIVWSCMKKJDMKEW-JPPWUZRISA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929187
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
2-(2,4-dichlorophenyl)-N-methylpropanehydrazide
CID 116845828
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide
CID 55584576
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61106865
2-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60953769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride (CID 119286052) is (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The InChIKey is IVWSCMKKJDMKEW-JPPWUZRISA-N. The full InChI is InChI=1S/C12H16Cl2N2O.ClH/c1-7(15)12(17)16(3)8(2)10-5-4-9(13)6-11(10)14;/h4-8H,15H2,1-3H3;1H/t7-,8?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride has a molecular weight of 311.64 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119286052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).