[(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate

C22H24FNO2 — CID 156602485

IUPAC[(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)O[C@H]1CCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C22H24FNO2/c23-18-7-4-8-19(15-18)24-21(25)26-20-11-14-22(20)12-9-17(10-13-22)16-5-2-1-3-6-16/h1-8,15,17,20H,9-14H2,(H,24,25)/t17?,20-,22?/m0/s1
InChIKeyPMLFLOWRPDPWQV-DHHCDUQHSA-N
MW353.44 g/mol
LogP5.88
Rot. Bonds3

About [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate

[(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate (PubChem CID 156602485) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate
PubChem CID156602485
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name[(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)O[C@H]1CCC12CCC(c1ccccc1)CC2
InChIInChI=1S/C22H24FNO2/c23-18-7-4-8-19(15-18)24-21(25)26-20-11-14-22(20)12-9-17(10-13-22)16-5-2-1-3-6-16/h1-8,15,17,20H,9-14H2,(H,24,25)/t17?,20-,22?/m0/s1
InChIKeyPMLFLOWRPDPWQV-DHHCDUQHSA-N
XLogP5.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.44
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[6-hydroxy-1-(hydroxymethyl)-1,4a-dimethyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-(3-fluorophenyl)carbamate
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(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate
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CID 70589934
1-(3-fluoroanilino)-3-methylcyclopentane-1-carboxylic acid
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1-(3-fluorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472706
N-(4-cyclohexylphenyl)-3-fluoroaniline
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1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949

Frequently Asked Questions

What is the IUPAC name of [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
The IUPAC name of [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate (CID 156602485) is [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate.
What is the SMILES notation for [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
The canonical SMILES for [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)O[C@H]1CCC12CCC(c1ccccc1)CC2.
What is the InChIKey of [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
The InChIKey is PMLFLOWRPDPWQV-DHHCDUQHSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-18-7-4-8-19(15-18)24-21(25)26-20-11-14-22(20)12-9-17(10-13-22)16-5-2-1-3-6-16/h1-8,15,17,20H,9-14H2,(H,24,25)/t17?,20-,22?/m0/s1.
What are the key properties of [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate?
[(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate has a molecular weight of 353.44 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-7-phenylspiro[3.5]nonan-3-yl] N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 156602485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).