N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide

C18H24F2N2O2 — CID 86802031

IUPACN-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC2CCOC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-11(23)21-13-3-5-14(6-4-13)22-17-8-9-24-18(17)12-2-7-15(19)16(20)10-12/h2,7,10,13-14,17-18,22H,3-6,8-9H2,1H3,(H,21,23)
InChIKeyPYAOTRVATXGGQH-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.83
Rot. Bonds4

About N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide

N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide (PubChem CID 86802031) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide
PubChem CID86802031
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NC2CCOC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N2O2/c1-11(23)21-13-3-5-14(6-4-13)22-17-8-9-24-18(17)12-2-7-15(19)16(20)10-12/h2,7,10,13-14,17-18,22H,3-6,8-9H2,1H3,(H,21,23)
InChIKeyPYAOTRVATXGGQH-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide (CID 86802031) is N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(NC2CCOC2c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide?
The InChIKey is PYAOTRVATXGGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-11(23)21-13-3-5-14(6-4-13)22-17-8-9-24-18(17)12-2-7-15(19)16(20)10-12/h2,7,10,13-14,17-18,22H,3-6,8-9H2,1H3,(H,21,23).
What are the key properties of N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide?
N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide has a molecular weight of 338.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 86802031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).