(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride

C12H17Cl3N2O — CID 119300447

IUPAC(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-3-16(12(17)8(2)15)7-9-4-5-10(13)11(14)6-9;/h4-6,8H,3,7,15H2,1-2H3;1H/t8-;/m0./s1
InChIKeyXQJGQUZKKAQHKP-QRPNPIFTSA-N
MW311.64 g/mol
LogP3.11
Rot. Bonds4

About (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride

(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride (PubChem CID 119300447) has the molecular formula C12H17Cl3N2O and a molecular weight of 311.64 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
PubChem CID119300447
Molecular FormulaC12H17Cl3N2O
Molecular Weight311.64 g/mol
Exact Mass310.04
IUPAC Name(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)N.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-3-16(12(17)8(2)15)7-9-4-5-10(13)11(14)6-9;/h4-6,8H,3,7,15H2,1-2H3;1H/t8-;/m0./s1
InChIKeyXQJGQUZKKAQHKP-QRPNPIFTSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119289283
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743606
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide
CID 120789290
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride (CID 119300447) is (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The InChIKey is XQJGQUZKKAQHKP-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H16Cl2N2O.ClH/c1-3-16(12(17)8(2)15)7-9-4-5-10(13)11(14)6-9;/h4-6,8H,3,7,15H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride has a molecular weight of 311.64 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride is sourced from PubChem (CID 119300447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).