N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide

C13H18Cl2N2O — CID 79653062

IUPACN-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,7-16)8-17(3)12(18)9-4-10(14)6-11(15)5-9/h4-6H,7-8,16H2,1-3H3
InChIKeyVSXWOUCJQHRCEX-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.05
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide (PubChem CID 79653062) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
PubChem CID79653062
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,7-16)8-17(3)12(18)9-4-10(14)6-11(15)5-9/h4-6H,7-8,16H2,1-3H3
InChIKeyVSXWOUCJQHRCEX-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-(3-amino-2,2-dimethylpropyl)-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide
CID 119656709
N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
CID 119653583
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide (CID 79653062) is N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide is CN(CC(C)(C)CN)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide?
The InChIKey is VSXWOUCJQHRCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-13(2,7-16)8-17(3)12(18)9-4-10(14)6-11(15)5-9/h4-6H,7-8,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide has a molecular weight of 289.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 79653062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).