N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C22H25FN2O2 — CID 74236962

IUPACN-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C22H25FN2O2/c23-19-3-1-2-18(16-19)17-4-6-20(7-5-17)24-21(26)25-12-8-22(9-13-25)10-14-27-15-11-22/h1-7,16H,8-15H2,(H,24,26)
InChIKeyMUEPNPPSRMRRPY-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.92
Rot. Bonds2

About N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 74236962) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID74236962
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C22H25FN2O2/c23-19-3-1-2-18(16-19)17-4-6-20(7-5-17)24-21(26)25-12-8-22(9-13-25)10-14-27-15-11-22/h1-7,16H,8-15H2,(H,24,26)
InChIKeyMUEPNPPSRMRRPY-UHFFFAOYSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-fluorophenyl)phenyl]-1-(oxane-4-carbonyl)piperidine-3-carboxamide
CID 45212597
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 71566458
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
(3-fluorophenyl)-[9-(4-phenylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234335
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
2-(3-fluorophenyl)-5-N-(4-phenylphenyl)-3a,4,6,7-tetrahydro-3H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 144845583
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 74236962) is N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)N1CCC2(CCOCC2)CC1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is MUEPNPPSRMRRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-3-1-2-18(16-19)17-4-6-20(7-5-17)24-21(26)25-12-8-22(9-13-25)10-14-27-15-11-22/h1-7,16H,8-15H2,(H,24,26).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 74236962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).