1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide

C20H26FNO2 — CID 97077216

IUPAC1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@H]1CCOC2(CCCCC2)C1)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C20H26FNO2/c21-16-6-4-5-15(13-16)20(10-11-20)18(23)22-17-7-12-24-19(14-17)8-2-1-3-9-19/h4-6,13,17H,1-3,7-12,14H2,(H,22,23)/t17-/m0/s1
InChIKeyHBUQFGWHMKOJQI-KRWDZBQOSA-N
MW331.43 g/mol
LogP3.86
Rot. Bonds3

About 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide

1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide (PubChem CID 97077216) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
PubChem CID97077216
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(N[C@H]1CCOC2(CCCCC2)C1)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C20H26FNO2/c21-16-6-4-5-15(13-16)20(10-11-20)18(23)22-17-7-12-24-19(14-17)8-2-1-3-9-19/h4-6,13,17H,1-3,7-12,14H2,(H,22,23)/t17-/m0/s1
InChIKeyHBUQFGWHMKOJQI-KRWDZBQOSA-N
XLogP3.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
N-(4-aminocyclohexyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119474298
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
1-(2-chloro-4,5-difluorophenyl)-3-[(9R)-6-oxaspiro[4.5]decan-9-yl]urea
CID 97076162
trans-(1S,2S)-2-(2,3-difluorophenyl)-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97076593
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
1-(2-methyl-6-methylsulfanylphenyl)-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124617715

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide (CID 97077216) is 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide is O=C(N[C@H]1CCOC2(CCCCC2)C1)C1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide?
The InChIKey is HBUQFGWHMKOJQI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26FNO2/c21-16-6-4-5-15(13-16)20(10-11-20)18(23)22-17-7-12-24-19(14-17)8-2-1-3-9-19/h4-6,13,17H,1-3,7-12,14H2,(H,22,23)/t17-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide?
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97077216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).