N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride

C13H19Cl3N2O — CID 119585468

IUPACN-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-8(2)5-10(7-16)17-13(18)9-3-4-11(14)12(15)6-9;/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18);1H
InChIKeyOVEHWIYZWSUOIQ-UHFFFAOYSA-N
MW325.67 g/mol
LogP3.52
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride (PubChem CID 119585468) has the molecular formula C13H19Cl3N2O and a molecular weight of 325.67 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
PubChem CID119585468
Molecular FormulaC13H19Cl3N2O
Molecular Weight325.67 g/mol
Exact Mass324.06
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-8(2)5-10(7-16)17-13(18)9-3-4-11(14)12(15)6-9;/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18);1H
InChIKeyOVEHWIYZWSUOIQ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-bromo-4-chlorobenzamide
CID 114024777
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
N-(1-amino-4-methylpentan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119587581
N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119586641
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
CID 65193516
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride (CID 119585468) is N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride?
The InChIKey is OVEHWIYZWSUOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O.ClH/c1-8(2)5-10(7-16)17-13(18)9-3-4-11(14)12(15)6-9;/h3-4,6,8,10H,5,7,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride has a molecular weight of 325.67 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119585468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).