N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride

C17H27Cl2N3O2 — CID 119525205

IUPACN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-16(2,3)9-14(22)20-11-6-7-13(18)12(8-11)15(23)21-17(4,5)10-19;/h6-8H,9-10,19H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyUZFORVPTTCQGNJ-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.60
Rot. Bonds5

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

N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride (PubChem CID 119525205) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
PubChem CID119525205
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CN)c1.Cl
InChIInChI=1S/C17H26ClN3O2.ClH/c1-16(2,3)9-14(22)20-11-6-7-13(18)12(8-11)15(23)21-17(4,5)10-19;/h6-8H,9-10,19H2,1-5H3,(H,20,22)(H,21,23);1H
InChIKeyUZFORVPTTCQGNJ-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
CID 110000959
N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
CID 119644009
2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390511
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119612583
4-[[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]amino]pentanoic acid
CID 120534859
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide;hydrochloride
CID 119609082
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119521536
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 63194127
2-[[[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528522
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
CID 154848114
N-(1-amino-2-methylpropan-2-yl)-2,4-dichloro-5-methylsulfanylbenzamide;hydrochloride
CID 119522762

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride (CID 119525205) is N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride is CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC(C)(C)CN)c1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride?
The InChIKey is UZFORVPTTCQGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.ClH/c1-16(2,3)9-14(22)20-11-6-7-13(18)12(8-11)15(23)21-17(4,5)10-19;/h6-8H,9-10,19H2,1-5H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride has a molecular weight of 376.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119525205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).