(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone

C22H24FNO2 — CID 87055926

IUPAC(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(c4ccccc4)CC3C2)cc1F
InChIInChI=1S/C22H24FNO2/c1-15(2)26-20-9-8-16(12-19(20)23)21(25)24-11-10-22(13-18(22)14-24)17-6-4-3-5-7-17/h3-9,12,15,18H,10-11,13-14H2,1-2H3
InChIKeyXKGCUVLTMPFELM-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.42
Rot. Bonds4

About (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone

(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone (PubChem CID 87055926) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
PubChem CID87055926
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(c4ccccc4)CC3C2)cc1F
InChIInChI=1S/C22H24FNO2/c1-15(2)26-20-9-8-16(12-19(20)23)21(25)24-11-10-22(13-18(22)14-24)17-6-4-3-5-7-17/h3-9,12,15,18H,10-11,13-14H2,1-2H3
InChIKeyXKGCUVLTMPFELM-UHFFFAOYSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone with MolForge

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Related Compounds

(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 87055846
[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[(1R,6S)-6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 153321281
[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)phenyl]-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
CID 121387383
[4-(2,2-difluoroethyl)-2-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
CID 66546241
[2-(2-chlorophenyl)-4-(2,2-difluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
CID 88924212
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550915
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
[5-(2-fluoro-2-methylpropoxy)-6-methoxy-2-pyridinyl]-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
CID 121387372
(3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
CID 138473876
(3-fluoro-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 158706049
[(4aR,8aS)-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]methanone
CID 138474007
[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[(6R)-6-pyridin-2-yl-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 121387349

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
The IUPAC name of (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone (CID 87055926) is (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(c4ccccc4)CC3C2)cc1F.
What is the InChIKey of (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
The InChIKey is XKGCUVLTMPFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-15(2)26-20-9-8-16(12-19(20)23)21(25)24-11-10-22(13-18(22)14-24)17-6-4-3-5-7-17/h3-9,12,15,18H,10-11,13-14H2,1-2H3.
What are the key properties of (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone has a molecular weight of 353.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone is sourced from PubChem (CID 87055926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).