3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide

C17H18BrNO — CID 43011240

IUPAC3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H18BrNO/c1-12-6-8-16(13(2)10-12)19-17(20)9-7-14-4-3-5-15(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChIKeyFSUBOZVBLGUGPL-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.64
Rot. Bonds4

About 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide

3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 43011240) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID43011240
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H18BrNO/c1-12-6-8-16(13(2)10-12)19-17(20)9-7-14-4-3-5-15(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChIKeyFSUBOZVBLGUGPL-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-N-(4-chloro-2-methylphenyl)propanamide
CID 43011145
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CID 42990299
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
3-(3-bromophenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 2620987
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
3-(3-bromophenyl)-N-(2-phenylphenyl)propanamide
CID 112789618
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide (CID 43011240) is 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is FSUBOZVBLGUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-6-8-16(13(2)10-12)19-17(20)9-7-14-4-3-5-15(18)11-14/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide?
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 332.24 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 43011240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).