(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate

C20H24FNO2 — CID 126703182

IUPAC(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCC1CCC(C2C=CC=CC2)CC1
InChIInChI=1S/C20H24FNO2/c21-18-10-12-19(13-11-18)22-20(23)24-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-4,10-13,15-17H,5-9,14H2,(H,22,23)
InChIKeyBPTSEKUWLLSJGL-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.31
Rot. Bonds4

About (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate

(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate (PubChem CID 126703182) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
PubChem CID126703182
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCC1CCC(C2C=CC=CC2)CC1
InChIInChI=1S/C20H24FNO2/c21-18-10-12-19(13-11-18)22-20(23)24-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-4,10-13,15-17H,5-9,14H2,(H,22,23)
InChIKeyBPTSEKUWLLSJGL-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urb602
CID 10979337
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4-Tert-butylbenzyl 4-fluorophenylcarbamate
CID 823436
Butyl 4-isopropylphenylcarbamate
CID 1562677
2-adamantyl N-(2,3,4-trifluorophenyl)carbamate
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2-(4-fluorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
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Cyclohexyl carbamate derivative 3
CID 54670072
cyclohexyl N-[3-[3-(trifluoromethyl)phenyl]phenyl]carbamate
CID 53348146
cyclohexyl N-(2-phenylphenyl)carbamate
CID 53348148
(4-Methylcyclohex-3-en-1-yl)methyl phenylcarbamate
CID 652223

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
The IUPAC name of (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate (CID 126703182) is (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)OCC1CCC(C2C=CC=CC2)CC1.
What is the InChIKey of (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
The InChIKey is BPTSEKUWLLSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-18-10-12-19(13-11-18)22-20(23)24-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-4,10-13,15-17H,5-9,14H2,(H,22,23).
What are the key properties of (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
(4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate has a molecular weight of 329.42 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexa-2,4-dien-1-ylcyclohexyl)methyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 126703182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).