3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride

C13H20Cl2N2O — CID 119688226

IUPAC3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)NCCc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-13(2,9-15)12(17)16-7-6-10-4-3-5-11(14)8-10;/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17);1H
InChIKeyMGNZSRGHHPJFCT-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.41
Rot. Bonds5

About 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride

3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119688226) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119688226
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(CN)C(=O)NCCc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-13(2,9-15)12(17)16-7-6-10-4-3-5-11(14)8-10;/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17);1H
InChIKeyMGNZSRGHHPJFCT-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119547992
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81484637
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732092
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
3-amino-2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115154707
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108961228

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride (CID 119688226) is 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(CN)C(=O)NCCc1cccc(Cl)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is MGNZSRGHHPJFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-13(2,9-15)12(17)16-7-6-10-4-3-5-11(14)8-10;/h3-5,8H,6-7,9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119688226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).