2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide

C15H19BrFNO2 — CID 112786473

IUPAC2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C15H19BrFNO2/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(17)9-13(14)16/h7-9,12H,2-6,10H2,1H3
InChIKeyPQEUWQIKKFODNX-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide

2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide (PubChem CID 112786473) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
PubChem CID112786473
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)COc1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C15H19BrFNO2/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(17)9-13(14)16/h7-9,12H,2-6,10H2,1H3
InChIKeyPQEUWQIKKFODNX-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
2-(2-chlorophenoxy)-N-cyclopentyl-N-methylacetamide
CID 92674739
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]propanoic acid
CID 60845240
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide (CID 112786473) is 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide is CN(C(=O)COc1ccc(F)cc1Br)C1CCCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide?
The InChIKey is PQEUWQIKKFODNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c1-18(12-5-3-2-4-6-12)15(19)10-20-14-8-7-11(17)9-13(14)16/h7-9,12H,2-6,10H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide?
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide has a molecular weight of 344.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 112786473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).