2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide

C20H25F2NO2 — CID 71915285

IUPAC2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)C1CC1c1c(F)cccc1F
InChIInChI=1S/C20H25F2NO2/c21-16-5-4-6-17(22)18(16)14-11-15(14)19(24)23-13-7-10-25-20(12-13)8-2-1-3-9-20/h4-6,13-15H,1-3,7-12H2,(H,23,24)
InChIKeyRLQXYMSQSLMRSA-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.07
Rot. Bonds3

About 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide

2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide (PubChem CID 71915285) has the molecular formula C20H25F2NO2 and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide
PubChem CID71915285
Molecular FormulaC20H25F2NO2
Molecular Weight349.42 g/mol
Exact Mass349.19
IUPAC Name2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC2(CCCCC2)C1)C1CC1c1c(F)cccc1F
InChIInChI=1S/C20H25F2NO2/c21-16-5-4-6-17(22)18(16)14-11-15(14)19(24)23-13-7-10-25-20(12-13)8-2-1-3-9-20/h4-6,13-15H,1-3,7-12H2,(H,23,24)
InChIKeyRLQXYMSQSLMRSA-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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Related Compounds

N-(oxan-4-yl)-6-phenylhexanamide
CID 154665768
N-[(4-Phenyloxan-4-YL)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91785874
1-Cyclopropyl-3-ethyl-1-{9-[2-(3-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}urea
CID 91909264
N-cyclopropyl-2-[9-(3-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]acetamide
CID 91919393
N-cyclopropyl-N'-ethyl-N-{9-[2-(2-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undec-4-yl}urea
CID 91919857
1-Cyclopropyl-1-{9-[2-(2-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}-3-(propan-2-YL)urea
CID 91919904
1-Cyclopropyl-1-{9-[2-(3-fluorophenyl)acetyl]-1-oxa-9-azaspiro[5.5]undecan-4-YL}-3-(propan-2-YL)urea
CID 91919908
N-(oxan-4-yl)-2-(4-phenylphenyl)acetamide
CID 57525049
cis-(1S,2R)-2-(2,6-difluorophenyl)-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 129423977
cis-(1S,2R)-2-(2,3-difluorophenyl)-N-[(2R)-4-morpholin-4-ylbutan-2-yl]cyclopropane-1-carboxamide
CID 129424827
4-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)oxane-4-carboxamide
CID 129567322

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide (CID 71915285) is 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide is O=C(NC1CCOC2(CCCCC2)C1)C1CC1c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is RLQXYMSQSLMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO2/c21-16-5-4-6-17(22)18(16)14-11-15(14)19(24)23-13-7-10-25-20(12-13)8-2-1-3-9-20/h4-6,13-15H,1-3,7-12H2,(H,23,24).
What are the key properties of 2-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide?
2-(2,6-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-(2,6-difluorophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71915285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).