N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride

C17H27Cl2N3O2 — CID 119609082

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC(C)(CN)C(C)C)c1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-10(2)15(22)20-12-6-7-14(18)13(8-12)16(23)21-17(5,9-19)11(3)4;/h6-8,10-11H,9,19H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyILRUCVHJPSFPOK-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.46
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride (PubChem CID 119609082) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
PubChem CID119609082
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC(C)(CN)C(C)C)c1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-10(2)15(22)20-12-6-7-14(18)13(8-12)16(23)21-17(5,9-19)11(3)4;/h6-8,10-11H,9,19H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyILRUCVHJPSFPOK-UHFFFAOYSA-N
XLogP3.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119572129
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119607897
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106502689
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-chlorobenzamide
CID 81487258
N-(2-amino-2-ethylbutyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119644007
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
2-chloro-N-(2-ethyl-2-hydroxybutyl)-5-(2-methylpropanoylamino)benzamide
CID 111483491
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119525205

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride (CID 119609082) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC(C)(CN)C(C)C)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride?
The InChIKey is ILRUCVHJPSFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.ClH/c1-10(2)15(22)20-12-6-7-14(18)13(8-12)16(23)21-17(5,9-19)11(3)4;/h6-8,10-11H,9,19H2,1-5H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride has a molecular weight of 376.33 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119609082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).