2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide

C16H22BrNO — CID 4602436

IUPAC2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cc2ccc(Br)cc2)C1C
InChIInChI=1S/C16H22BrNO/c1-11-4-3-5-15(12(11)2)18-16(19)10-13-6-8-14(17)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyLPMPPYTYFNJDFX-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.93
Rot. Bonds3

About 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide

2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 4602436) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID4602436
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)Cc2ccc(Br)cc2)C1C
InChIInChI=1S/C16H22BrNO/c1-11-4-3-5-15(12(11)2)18-16(19)10-13-6-8-14(17)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyLPMPPYTYFNJDFX-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide (CID 4602436) is 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)Cc2ccc(Br)cc2)C1C.
What is the InChIKey of 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is LPMPPYTYFNJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-4-3-5-15(12(11)2)18-16(19)10-13-6-8-14(17)9-7-13/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide?
2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 324.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 4602436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).