[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate

C20H21FN2O3 — CID 118438261

IUPAC[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate
SMILESCNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCC3)ccc2F)c1
InChIInChI=1S/C20H21FN2O3/c1-22-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)21)26-20(25)23-15-7-2-3-8-15/h4-6,9-12,15H,2-3,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyFINQXXLEXPYMQY-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.88
Rot. Bonds4

About [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate

[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate (PubChem CID 118438261) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate.

Molecular Properties

Compound Name[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate
PubChem CID118438261
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate
SMILESCNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCC3)ccc2F)c1
InChIInChI=1S/C20H21FN2O3/c1-22-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)21)26-20(25)23-15-7-2-3-8-15/h4-6,9-12,15H,2-3,7-8H2,1H3,(H,22,24)(H,23,25)
InChIKeyFINQXXLEXPYMQY-UHFFFAOYSA-N
XLogP3.88
TPSA67.43 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 ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate?
The IUPAC name of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate (CID 118438261) is [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate.
What is the SMILES notation for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate?
The canonical SMILES for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate is CNC(=O)c1cccc(-c2cc(OC(=O)NC3CCCC3)ccc2F)c1.
What is the InChIKey of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate?
The InChIKey is FINQXXLEXPYMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-22-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)21)26-20(25)23-15-7-2-3-8-15/h4-6,9-12,15H,2-3,7-8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate?
[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate has a molecular weight of 356.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl] N-cyclopentylcarbamate is sourced from PubChem (CID 118438261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).