N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide

C12H17BrN2O — CID 115267254

IUPACN-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
SMILESCC(C)(CN)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2,7-14)8-15-11(16)9-4-3-5-10(13)6-9/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyGZHHRVCYUXCOST-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.16
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide

N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide (PubChem CID 115267254) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
PubChem CID115267254
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
SMILESCC(C)(CN)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2,7-14)8-15-11(16)9-4-3-5-10(13)6-9/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyGZHHRVCYUXCOST-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
3-bromo-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66168403
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
CID 130552052
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
tert-butyl N-[1-[(3-bromobenzoyl)amino]-2-methylpropan-2-yl]carbamate
CID 110668964
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide (CID 115267254) is N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide is CC(C)(CN)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide?
The InChIKey is GZHHRVCYUXCOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,7-14)8-15-11(16)9-4-3-5-10(13)6-9/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide?
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide has a molecular weight of 285.19 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide is sourced from PubChem (CID 115267254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).