2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide

C16H22BrNO2 — CID 83133628

IUPAC2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
SMILESCc1cc(OC(C)C(=O)NC2CCCCC2)ccc1Br
InChIInChI=1S/C16H22BrNO2/c1-11-10-14(8-9-15(11)17)20-12(2)16(19)18-13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyNPAGZPCTQRAJNZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide

2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide (PubChem CID 83133628) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
PubChem CID83133628
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
SMILESCc1cc(OC(C)C(=O)NC2CCCCC2)ccc1Br
InChIInChI=1S/C16H22BrNO2/c1-11-10-14(8-9-15(11)17)20-12(2)16(19)18-13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyNPAGZPCTQRAJNZ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide
CID 107723816
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 103520360
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide (CID 83133628) is 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide is Cc1cc(OC(C)C(=O)NC2CCCCC2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide?
The InChIKey is NPAGZPCTQRAJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11-10-14(8-9-15(11)17)20-12(2)16(19)18-13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide?
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide has a molecular weight of 340.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide is sourced from PubChem (CID 83133628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).