N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide

C17H18BrNO — CID 82706258

IUPACN-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C17H18BrNO/c1-12-4-3-5-14(10-12)7-9-17(20)19-16-11-13(2)6-8-15(16)18/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChIKeyRRLAFLTZFSENPQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.64
Rot. Bonds4

About N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide

N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide (PubChem CID 82706258) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
PubChem CID82706258
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cc(C)ccc2Br)c1
InChIInChI=1S/C17H18BrNO/c1-12-4-3-5-14(10-12)7-9-17(20)19-16-11-13(2)6-8-15(16)18/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20)
InChIKeyRRLAFLTZFSENPQ-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

N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
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3-(3-bromophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
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N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
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3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
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CID 82712318
N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
CID 81272017
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220
3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
CID 80700531
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
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3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide (CID 82706258) is N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2cc(C)ccc2Br)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is RRLAFLTZFSENPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-4-3-5-14(10-12)7-9-17(20)19-16-11-13(2)6-8-15(16)18/h3-6,8,10-11H,7,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide?
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)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 N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 82706258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).