2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide

C15H20BrNO3 — CID 111118280

IUPAC2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H20BrNO3/c1-10(20-14-5-3-2-4-13(14)16)15(19)17-11-6-8-12(18)9-7-11/h2-5,10-12,18H,6-9H2,1H3,(H,17,19)
InChIKeyGDNOQHWSKHIKQH-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide

2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide (PubChem CID 111118280) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
PubChem CID111118280
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H20BrNO3/c1-10(20-14-5-3-2-4-13(14)16)15(19)17-11-6-8-12(18)9-7-11/h2-5,10-12,18H,6-9H2,1H3,(H,17,19)
InChIKeyGDNOQHWSKHIKQH-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236767
2-(2-bromophenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 17250210
(2R)-N-cyclopropyl-2-(2,3-dimethylphenoxy)propanamide
CID 39717598
2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111118289
2-(3-amino-2-bromophenoxy)-N-cyclopropylpropanamide
CID 113497736
N-[2-(aminomethyl)cyclohexyl]-2-(2-bromophenoxy)propanamide
CID 119611217
2-(2-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 43083012
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
2-(2-acetylphenoxy)-N-cyclohexylpropanamide
CID 43083117
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 47004055
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide (CID 111118280) is 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide is CC(Oc1ccccc1Br)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide?
The InChIKey is GDNOQHWSKHIKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-10(20-14-5-3-2-4-13(14)16)15(19)17-11-6-8-12(18)9-7-11/h2-5,10-12,18H,6-9H2,1H3,(H,17,19).
What are the key properties of 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide?
2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 111118280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).