N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide

C16H15BrClNO — CID 81272017

IUPACN-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C16H15BrClNO/c1-11-2-4-12(5-3-11)6-9-16(20)19-15-10-13(18)7-8-14(15)17/h2-5,7-8,10H,6,9H2,1H3,(H,19,20)
InChIKeyVYLDDDMWNKQWDT-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.98
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide

N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide (PubChem CID 81272017) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
PubChem CID81272017
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C16H15BrClNO/c1-11-2-4-12(5-3-11)6-9-16(20)19-15-10-13(18)7-8-14(15)17/h2-5,7-8,10H,6,9H2,1H3,(H,19,20)
InChIKeyVYLDDDMWNKQWDT-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

5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide
CID 75417297
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
6-amino-N-(2-bromo-5-chlorophenyl)-4-methylhexanamide
CID 81271124
3-(3-bromophenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 2620987
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide
CID 84558557
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(2-bromo-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 103753599

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide (CID 81272017) is N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is VYLDDDMWNKQWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11-2-4-12(5-3-11)6-9-16(20)19-15-10-13(18)7-8-14(15)17/h2-5,7-8,10H,6,9H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide?
N-(2-bromo-5-chlorophenyl)-3-(4-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-5-chlorophenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 81272017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).