N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide

C17H24BrNO — CID 957346

IUPACN-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
SMILESCc1c(Br)ccc(NC(=O)CCC2CCCCC2)c1C
InChIInChI=1S/C17H24BrNO/c1-12-13(2)16(10-9-15(12)18)19-17(20)11-8-14-6-4-3-5-7-14/h9-10,14H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyDVLWGYYZPMZUJJ-UHFFFAOYSA-N
MW338.29 g/mol
LogP5.36
Rot. Bonds4

About N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide

N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide (PubChem CID 957346) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
PubChem CID957346
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
SMILESCc1c(Br)ccc(NC(=O)CCC2CCCCC2)c1C
InChIInChI=1S/C17H24BrNO/c1-12-13(2)16(10-9-15(12)18)19-17(20)11-8-14-6-4-3-5-7-14/h9-10,14H,3-8,11H2,1-2H3,(H,19,20)
InChIKeyDVLWGYYZPMZUJJ-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.29
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82757064
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N-(2-acetamidophenyl)-3-cyclopentylpropanamide
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2-bromo-5-(3-cyclohexylpropanoylamino)benzoic acid
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3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
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N-(3-amino-4-bromophenyl)-3-cyclohexylpropanamide
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2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide
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3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
N-[3-(3-cyclohexylpropanoylamino)-2-methylphenyl]-2-hydroxybenzamide
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3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide (CID 957346) is N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide is Cc1c(Br)ccc(NC(=O)CCC2CCCCC2)c1C.
What is the InChIKey of N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide?
The InChIKey is DVLWGYYZPMZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12-13(2)16(10-9-15(12)18)19-17(20)11-8-14-6-4-3-5-7-14/h9-10,14H,3-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide?
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide has a molecular weight of 338.29 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 957346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).