[3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate

C20H21FN2O3 — CID 118438182

IUPAC[3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2F)c1
InChIInChI=1S/C20H21FN2O3/c21-18-16(13-6-4-7-14(12-13)19(22)24)10-5-11-17(18)26-20(25)23-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9H2,(H2,22,24)(H,23,25)
InChIKeyPQPBZULWXZDEFR-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.01
Rot. Bonds4

About [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate

[3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate (PubChem CID 118438182) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate
PubChem CID118438182
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2F)c1
InChIInChI=1S/C20H21FN2O3/c21-18-16(13-6-4-7-14(12-13)19(22)24)10-5-11-17(18)26-20(25)23-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9H2,(H2,22,24)(H,23,25)
InChIKeyPQPBZULWXZDEFR-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)-2-fluorophenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate (CID 118438182) is [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate is NC(=O)c1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2F)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate?
The InChIKey is PQPBZULWXZDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-18-16(13-6-4-7-14(12-13)19(22)24)10-5-11-17(18)26-20(25)23-15-8-2-1-3-9-15/h4-7,10-12,15H,1-3,8-9H2,(H2,22,24)(H,23,25).
What are the key properties of [3-(3-carbamoylphenyl)-2-fluorophenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylphenyl)-2-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)-2-fluorophenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 118438182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).