2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide

C16H22BrNO2 — CID 110893819

IUPAC2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCC(O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-16(2,11-3-5-12(17)6-4-11)15(20)18-13-7-9-14(19)10-8-13/h3-6,13-14,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyPJPJZXKOJZTZFY-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide

2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide (PubChem CID 110893819) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
PubChem CID110893819
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
SMILESCC(C)(C(=O)NC1CCC(O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-16(2,11-3-5-12(17)6-4-11)15(20)18-13-7-9-14(19)10-8-13/h3-6,13-14,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyPJPJZXKOJZTZFY-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119390315
2-(4-bromophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119454206
2-(3,4-dimethoxyphenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110437761
N-cyclopentyl-2-methyl-2-(4-methylphenyl)propanamide
CID 113198015
N-(4-aminocyclohexyl)-2-(4-aminophenyl)-2-methylpropanamide
CID 80556915
2-(4-chlorophenyl)-N-cyclopentyl-2-methylpropanamide
CID 47300023
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110921286
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide
CID 115056293
2-(4-bromophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575309
1-[2-(4-bromophenyl)-2-hydroxypropyl]-3-cyclopropylurea
CID 110309093

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide (CID 110893819) is 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide is CC(C)(C(=O)NC1CCC(O)CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
The InChIKey is PJPJZXKOJZTZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-16(2,11-3-5-12(17)6-4-11)15(20)18-13-7-9-14(19)10-8-13/h3-6,13-14,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide?
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide has a molecular weight of 340.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide is sourced from PubChem (CID 110893819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).