[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate

C21H23FN2O3 — CID 95985787

IUPAC[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H23FN2O3/c22-16-11-9-15(10-12-16)13-20(25)23-18-7-4-8-19(14-18)27-21(26)24-17-5-2-1-3-6-17/h1-3,5-6,9-12,18-19H,4,7-8,13-14H2,(H,23,25)(H,24,26)/t18-,19+/m1/s1
InChIKeyCVVRMQVWKIVOQJ-MOPGFXCFSA-N
MW370.42 g/mol
LogP4.04
Rot. Bonds5

About [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate

[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate (PubChem CID 95985787) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
PubChem CID95985787
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H23FN2O3/c22-16-11-9-15(10-12-16)13-20(25)23-18-7-4-8-19(14-18)27-21(26)24-17-5-2-1-3-6-17/h1-3,5-6,9-12,18-19H,4,7-8,13-14H2,(H,23,25)(H,24,26)/t18-,19+/m1/s1
InChIKeyCVVRMQVWKIVOQJ-MOPGFXCFSA-N
XLogP4.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
CID 95985844
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[3-[[2-(trifluoromethyl)benzoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 71794320
[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate
CID 71794298
[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
CID 71794297
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
[3-[(2-oxochromene-3-carbonyl)amino]cyclohexyl] N-phenylcarbamate
CID 71794272
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate?
The IUPAC name of [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate (CID 95985787) is [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate is O=C(Cc1ccc(F)cc1)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1.
What is the InChIKey of [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate?
The InChIKey is CVVRMQVWKIVOQJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-16-11-9-15(10-12-16)13-20(25)23-18-7-4-8-19(14-18)27-21(26)24-17-5-2-1-3-6-17/h1-3,5-6,9-12,18-19H,4,7-8,13-14H2,(H,23,25)(H,24,26)/t18-,19+/m1/s1.
What are the key properties of [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate?
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate has a molecular weight of 370.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 95985787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).