N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide

C16H19F2NO2 — CID 58974590

IUPACN-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide
SMILESCC(=O)C1(NC(=O)Cc2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C16H19F2NO2/c1-11(20)16(5-3-2-4-6-16)19-15(21)9-12-7-13(17)10-14(18)8-12/h7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyMXIGJKBHSIIBGR-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.92
Rot. Bonds4

About N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide

N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide (PubChem CID 58974590) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide
PubChem CID58974590
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide
SMILESCC(=O)C1(NC(=O)Cc2cc(F)cc(F)c2)CCCCC1
InChIInChI=1S/C16H19F2NO2/c1-11(20)16(5-3-2-4-6-16)19-15(21)9-12-7-13(17)10-14(18)8-12/h7-8,10H,2-6,9H2,1H3,(H,19,21)
InChIKeyMXIGJKBHSIIBGR-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide (CID 58974590) is N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide is CC(=O)C1(NC(=O)Cc2cc(F)cc(F)c2)CCCCC1.
What is the InChIKey of N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide?
The InChIKey is MXIGJKBHSIIBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-11(20)16(5-3-2-4-6-16)19-15(21)9-12-7-13(17)10-14(18)8-12/h7-8,10H,2-6,9H2,1H3,(H,19,21).
What are the key properties of N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide?
N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 58974590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).