N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride

C13H19Cl3N2O — CID 120506356

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-8(13(18)17-9(2)7-16)5-10-3-4-11(14)6-12(10)15;/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18);1H/t8?,9-;/m0./s1
InChIKeyRQZBLRKYUBOJPP-MTFPJWTKSA-N
MW325.67 g/mol
LogP3.06
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride (PubChem CID 120506356) has the molecular formula C13H19Cl3N2O and a molecular weight of 325.67 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
PubChem CID120506356
Molecular FormulaC13H19Cl3N2O
Molecular Weight325.67 g/mol
Exact Mass324.06
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-8(13(18)17-9(2)7-16)5-10-3-4-11(14)6-12(10)15;/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18);1H/t8?,9-;/m0./s1
InChIKeyRQZBLRKYUBOJPP-MTFPJWTKSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-(2-amino-2-methylpropyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119630154
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-3,3-dimethylbutanamide;hydrochloride
CID 119757977
3-(2,4-dichlorophenyl)-2-methyl-N-[2-(methylamino)ethyl]propanamide
CID 119503882
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441
4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
CID 116564374
4-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]pentanamide;hydrochloride
CID 120561607
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 119308693
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride (CID 120506356) is N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride is CC(Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is RQZBLRKYUBOJPP-MTFPJWTKSA-N. The full InChI is InChI=1S/C13H18Cl2N2O.ClH/c1-8(13(18)17-9(2)7-16)5-10-3-4-11(14)6-12(10)15;/h3-4,6,8-9H,5,7,16H2,1-2H3,(H,17,18);1H/t8?,9-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 325.67 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 120506356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).