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

C16H15BrClNO — CID 103479751

IUPACN-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11-4-2-5-12(10-11)8-9-15(20)19-14-7-3-6-13(18)16(14)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyPDWNZZCKJIWZKT-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.98
Rot. Bonds4

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

N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide (PubChem CID 103479751) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
PubChem CID103479751
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C16H15BrClNO/c1-11-4-2-5-12(10-11)8-9-15(20)19-14-7-3-6-13(18)16(14)17/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyPDWNZZCKJIWZKT-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide (CID 103479751) is N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is PDWNZZCKJIWZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11-4-2-5-12(10-11)8-9-15(20)19-14-7-3-6-13(18)16(14)17/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide?
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide has a molecular weight of 352.66 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 103479751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).