2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide

C16H21F2NO2 — CID 170756957

IUPAC2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1C(N)=O
InChIInChI=1S/C16H21F2NO2/c1-2-21-10-12-4-3-5-13(14(12)15(19)20)11-6-8-16(17,18)9-7-11/h3-5,11H,2,6-10H2,1H3,(H2,19,20)
InChIKeyDBGOGAVESLPAAC-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.61
Rot. Bonds5

About 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide

2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide (PubChem CID 170756957) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide
PubChem CID170756957
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Name2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide
SMILESCCOCc1cccc(C2CCC(F)(F)CC2)c1C(N)=O
InChIInChI=1S/C16H21F2NO2/c1-2-21-10-12-4-3-5-13(14(12)15(19)20)11-6-8-16(17,18)9-7-11/h3-5,11H,2,6-10H2,1H3,(H2,19,20)
InChIKeyDBGOGAVESLPAAC-UHFFFAOYSA-N
XLogP3.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide (CID 170756957) is 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide is CCOCc1cccc(C2CCC(F)(F)CC2)c1C(N)=O.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide?
The InChIKey is DBGOGAVESLPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-2-21-10-12-4-3-5-13(14(12)15(19)20)11-6-8-16(17,18)9-7-11/h3-5,11H,2,6-10H2,1H3,(H2,19,20).
What are the key properties of 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide?
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide has a molecular weight of 297.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)benzamide is sourced from PubChem (CID 170756957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).