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

C16H22BrNO2 — CID 91050343

IUPAC2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide
SMILESCCC(C(=O)NC1CCC(O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-2-15(11-3-5-12(17)6-4-11)16(20)18-13-7-9-14(19)10-8-13/h3-6,13-15,19H,2,7-10H2,1H3,(H,18,20)
InChIKeyLYSXDCCDLHHILA-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.36
Rot. Bonds4

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

2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide (PubChem CID 91050343) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide
PubChem CID91050343
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide
SMILESCCC(C(=O)NC1CCC(O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c1-2-15(11-3-5-12(17)6-4-11)16(20)18-13-7-9-14(19)10-8-13/h3-6,13-15,19H,2,7-10H2,1H3,(H,18,20)
InChIKeyLYSXDCCDLHHILA-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
[(1R)-1-(4-bromophenyl)propyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8643319
N-cycloheptyl-2-phenylbutanamide
CID 2890971
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110893819
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
CID 111435900
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide (CID 91050343) is 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide is CCC(C(=O)NC1CCC(O)CC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide?
The InChIKey is LYSXDCCDLHHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-15(11-3-5-12(17)6-4-11)16(20)18-13-7-9-14(19)10-8-13/h3-6,13-15,19H,2,7-10H2,1H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide?
2-(4-bromophenyl)-N-(4-hydroxycyclohexyl)butanamide has a molecular weight of 340.26 g/mol, XLogP of 3.36, 4 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)butanamide is sourced from PubChem (CID 91050343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).