[3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate

C20H21FN2O3 — CID 91971984

IUPAC[3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cc(F)cc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H21FN2O3/c21-16-10-15(13-5-4-6-14(9-13)19(22)24)11-18(12-16)26-20(25)23-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8H2,(H2,22,24)(H,23,25)
InChIKeyUCDFUDXERZJFIY-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.01
Rot. Bonds4

About [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate

[3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate (PubChem CID 91971984) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate
PubChem CID91971984
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cc(F)cc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H21FN2O3/c21-16-10-15(13-5-4-6-14(9-13)19(22)24)11-18(12-16)26-20(25)23-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8H2,(H2,22,24)(H,23,25)
InChIKeyUCDFUDXERZJFIY-UHFFFAOYSA-N
XLogP4.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate (CID 91971984) is [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate is NC(=O)c1cccc(-c2cc(F)cc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate?
The InChIKey is UCDFUDXERZJFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-16-10-15(13-5-4-6-14(9-13)19(22)24)11-18(12-16)26-20(25)23-17-7-2-1-3-8-17/h4-6,9-12,17H,1-3,7-8H2,(H2,22,24)(H,23,25).
What are the key properties of [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate has a molecular weight of 356.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)-5-fluorophenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 91971984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).