2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide

C20H25F2NO2 — CID 71915284

IUPAC2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C20H25F2NO2/c21-13-4-5-15(18(22)10-13)16-11-17(16)19(24)23-14-6-9-25-20(12-14)7-2-1-3-8-20/h4-5,10,14,16-17H,1-3,6-9,11-12H2,(H,23,24)
InChIKeyPKBGSCAHWWXHBT-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.07
Rot. Bonds3

About 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide

2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide (PubChem CID 71915284) has the molecular formula C20H25F2NO2 and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide
PubChem CID71915284
Molecular FormulaC20H25F2NO2
Molecular Weight349.42 g/mol
Exact Mass349.19
IUPAC Name2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C20H25F2NO2/c21-13-4-5-15(18(22)10-13)16-11-17(16)19(24)23-14-6-9-25-20(12-14)7-2-1-3-8-20/h4-5,10,14,16-17H,1-3,6-9,11-12H2,(H,23,24)
InChIKeyPKBGSCAHWWXHBT-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide (CID 71915284) is 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide is O=C(NC1CCOC2(CCCCC2)C1)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is PKBGSCAHWWXHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO2/c21-13-4-5-15(18(22)10-13)16-11-17(16)19(24)23-14-6-9-25-20(12-14)7-2-1-3-8-20/h4-5,10,14,16-17H,1-3,6-9,11-12H2,(H,23,24).
What are the key properties of 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71915284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).