3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide

C12H17BrN2O — CID 115426300

IUPAC3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(Br)cc1NC(=O)C(C)(C)CN
InChIInChI=1S/C12H17BrN2O/c1-8-4-5-9(13)6-10(8)15-11(16)12(2,3)7-14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyQUPRJHLWCTXBRR-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.68
Rot. Bonds3

About 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide

3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide (PubChem CID 115426300) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
PubChem CID115426300
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(Br)cc1NC(=O)C(C)(C)CN
InChIInChI=1S/C12H17BrN2O/c1-8-4-5-9(13)6-10(8)15-11(16)12(2,3)7-14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyQUPRJHLWCTXBRR-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide 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-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119676324
N-(3-acetamido-4-methylphenyl)-3-amino-2,2-dimethylpropanamide;hydrochloride
CID 119711356
N-(4-bromo-2-methylphenyl)-2,2-dimethylbutanamide
CID 4634905
3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
CID 115180320
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
N'-(5-bromo-2-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199854
3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide
CID 115426126
3-[(3-amino-2,2-dimethylpropanoyl)amino]-4-bromobenzoic acid
CID 107813469
1-(5-bromo-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894507
5-[(3-amino-2,2-dimethylpropanoyl)amino]-2-methylbenzoic acid
CID 113307660
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide (CID 115426300) is 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide is Cc1ccc(Br)cc1NC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide?
The InChIKey is QUPRJHLWCTXBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-8-4-5-9(13)6-10(8)15-11(16)12(2,3)7-14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide?
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide has a molecular weight of 285.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 115426300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).