2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride

C12H18Cl2N2O — CID 119289283

IUPAC2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)cc1)C(=O)C(C)N.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-3-15(12(16)9(2)14)8-10-4-6-11(13)7-5-10;/h4-7,9H,3,8,14H2,1-2H3;1H
InChIKeyHSGVSGNHMSOGGK-UHFFFAOYSA-N
MW277.19 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride

2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride (PubChem CID 119289283) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
PubChem CID119289283
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)cc1)C(=O)C(C)N.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-3-15(12(16)9(2)14)8-10-4-6-11(13)7-5-10;/h4-7,9H,3,8,14H2,1-2H3;1H
InChIKeyHSGVSGNHMSOGGK-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride (CID 119289283) is 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride is CCN(Cc1ccc(Cl)cc1)C(=O)C(C)N.Cl.
What is the InChIKey of 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
The InChIKey is HSGVSGNHMSOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-3-15(12(16)9(2)14)8-10-4-6-11(13)7-5-10;/h4-7,9H,3,8,14H2,1-2H3;1H.
What are the key properties of 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride?
2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide;hydrochloride is sourced from PubChem (CID 119289283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).