N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride

C15H22Cl3N3O2 — CID 119653613

IUPACN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H21Cl2N3O2.ClH/c1-15(2,8-18)9-20(3)13(21)7-19-14(22)10-4-5-11(16)12(17)6-10;/h4-6H,7-9,18H2,1-3H3,(H,19,22);1H
InChIKeyQGMGPRNZJJSAKI-UHFFFAOYSA-N
MW382.72 g/mol
LogP2.59
Rot. Bonds6

About N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride

N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (PubChem CID 119653613) has the molecular formula C15H22Cl3N3O2 and a molecular weight of 382.72 g/mol. Its IUPAC name is N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
PubChem CID119653613
Molecular FormulaC15H22Cl3N3O2
Molecular Weight382.72 g/mol
Exact Mass381.08
IUPAC NameN-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H21Cl2N3O2.ClH/c1-15(2,8-18)9-20(3)13(21)7-19-14(22)10-4-5-11(16)12(17)6-10;/h4-6H,7-9,18H2,1-3H3,(H,19,22);1H
InChIKeyQGMGPRNZJJSAKI-UHFFFAOYSA-N
XLogP2.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119658374
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119653013
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 86907623
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
N-[3-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-oxopropyl]-4-tert-butylbenzamide
CID 119654300
N-(3-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 115267427
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
N-(3-amino-2,2-dimethylpropyl)-2-(2,6-dimethylanilino)-N-methylacetamide;dihydrochloride
CID 119657129
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (CID 119653613) is N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is CN(CC(C)(C)CN)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The InChIKey is QGMGPRNZJJSAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2.ClH/c1-15(2,8-18)9-20(3)13(21)7-19-14(22)10-4-5-11(16)12(17)6-10;/h4-6H,7-9,18H2,1-3H3,(H,19,22);1H.
What are the key properties of N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride has a molecular weight of 382.72 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119653613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).