3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide

C17H19BrN2O — CID 82747385

IUPAC3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
SMILESCc1ccc(Br)c(NC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C17H19BrN2O/c1-11-8-9-14(18)15(10-11)20-17(21)12(2)16(19)13-6-4-3-5-7-13/h3-10,12,16H,19H2,1-2H3,(H,20,21)
InChIKeyOXVSFOFOQVZLMN-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.03
Rot. Bonds4

About 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide

3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide (PubChem CID 82747385) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
PubChem CID82747385
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
SMILESCc1ccc(Br)c(NC(=O)C(C)C(N)c2ccccc2)c1
InChIInChI=1S/C17H19BrN2O/c1-11-8-9-14(18)15(10-11)20-17(21)12(2)16(19)13-6-4-3-5-7-13/h3-10,12,16H,19H2,1-2H3,(H,20,21)
InChIKeyOXVSFOFOQVZLMN-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
3-amino-N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119802640
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
N-(2-bromo-5-methylphenyl)-2-cyanopropanamide
CID 82757747
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
(2-bromo-5-methylphenyl)urea
CID 82707313
1-(2-bromo-5-methylphenyl)-3-phenylurea
CID 82707314
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
CID 80546727
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide (CID 82747385) is 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide is Cc1ccc(Br)c(NC(=O)C(C)C(N)c2ccccc2)c1.
What is the InChIKey of 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide?
The InChIKey is OXVSFOFOQVZLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-8-9-14(18)15(10-11)20-17(21)12(2)16(19)13-6-4-3-5-7-13/h3-10,12,16H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide has a molecular weight of 347.26 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 82747385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).