N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide

C13H18BrClN2O — CID 114018521

IUPACN-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H18BrClN2O/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
InChIKeyDZPGVKMECPFVTF-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.16
Rot. Bonds4

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

N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide (PubChem CID 114018521) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
PubChem CID114018521
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H18BrClN2O/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
InChIKeyDZPGVKMECPFVTF-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzamide
CID 79668340
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 119656479
3-bromo-5-chloro-N-(cyanomethyl)-N-methylbenzamide
CID 103826873
3-bromo-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107939685
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
CID 119653583
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide (CID 114018521) is N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide is CN(CC(C)(C)CN)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide?
The InChIKey is DZPGVKMECPFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/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-bromo-5-chloro-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide has a molecular weight of 333.66 g/mol, XLogP of 3.16, 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-bromo-5-chloro-N-methylbenzamide is sourced from PubChem (CID 114018521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).