3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

C18H21Cl3N2O — CID 119736260

IUPAC3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCCc1cccc(Cl)c1Cl)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(17(21)14-6-3-2-4-7-14)18(23)22-11-10-13-8-5-9-15(19)16(13)20;/h2-9,12,17H,10-11,21H2,1H3,(H,22,23);1H
InChIKeyBUSAOXVWXWKOCR-UHFFFAOYSA-N
MW387.74 g/mol
LogP4.41
Rot. Bonds6

About 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119736260) has the molecular formula C18H21Cl3N2O and a molecular weight of 387.74 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119736260
Molecular FormulaC18H21Cl3N2O
Molecular Weight387.74 g/mol
Exact Mass386.07
IUPAC Name3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCCc1cccc(Cl)c1Cl)C(N)c1ccccc1.Cl
InChIInChI=1S/C18H20Cl2N2O.ClH/c1-12(17(21)14-6-3-2-4-7-14)18(23)22-11-10-13-8-5-9-15(19)16(13)20;/h2-9,12,17H,10-11,21H2,1H3,(H,22,23);1H
InChIKeyBUSAOXVWXWKOCR-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
3-amino-2-methyl-N-[2-(2-nitrophenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119802876
(2S)-2-amino-N-[2-(2,3-dichlorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119736266
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
(2S)-2-amino-N-[2-(2,3-dichlorophenyl)ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119296429
3-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745605
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119736260) is 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is CC(C(=O)NCCc1cccc(Cl)c1Cl)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is BUSAOXVWXWKOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O.ClH/c1-12(17(21)14-6-3-2-4-7-14)18(23)22-11-10-13-8-5-9-15(19)16(13)20;/h2-9,12,17H,10-11,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 387.74 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,3-dichlorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119736260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).