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

C16H24Cl3N3O2 — CID 119658374

IUPACN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H23Cl2N3O2.ClH/c1-10(2)14(19)6-7-21(3)15(22)9-20-16(23)11-4-5-12(17)13(18)8-11;/h4-5,8,10,14H,6-7,9,19H2,1-3H3,(H,20,23);1H
InChIKeyITGDFSTUOQPSTQ-UHFFFAOYSA-N
MW396.75 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (PubChem CID 119658374) has the molecular formula C16H24Cl3N3O2 and a molecular weight of 396.75 g/mol. Its IUPAC name is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
PubChem CID119658374
Molecular FormulaC16H24Cl3N3O2
Molecular Weight396.75 g/mol
Exact Mass395.09
IUPAC NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H23Cl2N3O2.ClH/c1-10(2)14(19)6-7-21(3)15(22)9-20-16(23)11-4-5-12(17)13(18)8-11;/h4-5,8,10,14H,6-7,9,19H2,1-3H3,(H,20,23);1H
InChIKeyITGDFSTUOQPSTQ-UHFFFAOYSA-N
XLogP2.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119658376
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119653613
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 86907623
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 115695919
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
3,4-dichloro-N-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 60518643

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride (CID 119658374) is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
The InChIKey is ITGDFSTUOQPSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2.ClH/c1-10(2)14(19)6-7-21(3)15(22)9-20-16(23)11-4-5-12(17)13(18)8-11;/h4-5,8,10,14H,6-7,9,19H2,1-3H3,(H,20,23);1H.
What are the key properties of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride?
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride has a molecular weight of 396.75 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride is sourced from PubChem (CID 119658374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).