(4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate

C20H22FNO2 — CID 121329972

IUPAC(4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H22FNO2/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/h1-5,10-13,15,17H,6-9,14H2,(H,22,23)
InChIKeyCAXSIMKTBYGLGH-UHFFFAOYSA-N
MW327.40 g/mol
LogP5.35
Rot. Bonds4

About (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate

(4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate (PubChem CID 121329972) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name(4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
PubChem CID121329972
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H22FNO2/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/h1-5,10-13,15,17H,6-9,14H2,(H,22,23)
InChIKeyCAXSIMKTBYGLGH-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urb602
CID 10979337
Phenethyl phenylcarbamate
CID 347208
C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
CID 82348
piperidin-4-ylmethyl N-[4-fluoro-2-(4-fluorophenyl)phenyl]carbamate
CID 138711318
piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
CID 138711325
piperidin-4-ylmethyl N-[2-(3,4,5-trifluorophenyl)phenyl]carbamate
CID 156015287
piperidin-4-ylmethyl N-[4-fluoro-2-(3,4,5-trifluorophenyl)phenyl]carbamate
CID 138711334
3-Phenylpropyl phenylcarbamate
CID 2254838
Cyclohexyl biphenyl-4-ylcarbamate
CID 45272494
4-Tert-butylbenzyl 4-fluorophenylcarbamate
CID 823436
Butyl 4-isopropylphenylcarbamate
CID 1562677
2-adamantyl N-(2,3,4-trifluorophenyl)carbamate
CID 56673017

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
The IUPAC name of (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate (CID 121329972) is (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)OCC1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
The InChIKey is CAXSIMKTBYGLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/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/h1-5,10-13,15,17H,6-9,14H2,(H,22,23).
What are the key properties of (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate?
(4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate has a molecular weight of 327.40 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexyl)methyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 121329972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).