3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide

C17H19BrN2O — CID 61139412

IUPAC3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(Br)c(N)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-6-4-3-5-7-13)11-20-16(21)12-8-9-14(18)15(19)10-12/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyLJUURDIHGBSMHK-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.74
Rot. Bonds4

About 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide

3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide (PubChem CID 61139412) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
PubChem CID61139412
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(Br)c(N)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-6-4-3-5-7-13)11-20-16(21)12-8-9-14(18)15(19)10-12/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyLJUURDIHGBSMHK-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide 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-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 60987768
3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
CID 46400629
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide (CID 61139412) is 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide is CC(C)(CNC(=O)c1ccc(Br)c(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide?
The InChIKey is LJUURDIHGBSMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-17(2,13-6-4-3-5-7-13)11-20-16(21)12-8-9-14(18)15(19)10-12/h3-10H,11,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide?
3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide has a molecular weight of 347.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide is sourced from PubChem (CID 61139412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).