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

C16H22BrNO2 — CID 18106450

IUPAC2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-11-3-7-14(8-4-11)18-16(19)12(2)20-15-9-5-13(17)6-10-15/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyRFEXATMCWFXAFC-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.91
Rot. Bonds4

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

2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide (PubChem CID 18106450) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
PubChem CID18106450
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)C(C)Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-11-3-7-14(8-4-11)18-16(19)12(2)20-15-9-5-13(17)6-10-15/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyRFEXATMCWFXAFC-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
CID 7754794
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
2-(4-methoxyphenoxy)-N-(3-methylcyclopentyl)propanamide
CID 114549547
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
(2R)-2-(4-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1293555
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
2-(4-bromophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553673

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide (CID 18106450) is 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)C(C)Oc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is RFEXATMCWFXAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11-3-7-14(8-4-11)18-16(19)12(2)20-15-9-5-13(17)6-10-15/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide?
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide has a molecular weight of 340.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 18106450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).