Urea-based compound, 23

Name: Urea-based compound, 23 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₀F₄N₂O₃ — CID 25093351

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[4-(4-fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(F)cc2)CC1

InChIInChI=1S/C20H20F4N2O3/c21-13-1-7-16(8-2-13)28-17-9-3-14(4-10-17)25-19(27)26-15-5-11-18(12-6-15)29-20(22,23)24/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,27)

InChIKeyGRVHWWSPQFJFDX-UHFFFAOYSA-N

MW412.38 g/mol

LogP5.24

Rot. Bonds5

About Urea-based compound, 23

Urea-based compound, 23 (PubChem CID 25093351) has the molecular formula C₂₀H₂₀F₄N₂O₃ and a molecular weight of 412.38 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name	Urea-based compound, 23
PubChem CID	25093351
Molecular Formula	C₂₀H₂₀F₄N₂O₃
Molecular Weight	412.38 g/mol
Exact Mass	412.14
IUPAC Name	1-[4-(4-fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILES	O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(F)cc2)CC1
InChI	InChI=1S/C20H20F4N2O3/c21-13-1-7-16(8-2-13)28-17-9-3-14(4-10-17)25-19(27)26-15-5-11-18(12-6-15)29-20(22,23)24/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,27)
InChIKey	GRVHWWSPQFJFDX-UHFFFAOYSA-N
XLogP	5.24
TPSA	59.59 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.38
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Urea-based compound, 23?

The IUPAC name of Urea-based compound, 23 (CID 25093351) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.

What is the SMILES notation for Urea-based compound, 23?

The canonical SMILES for Urea-based compound, 23 is O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCC(Oc2ccc(F)cc2)CC1.

What is the InChIKey of Urea-based compound, 23?

The InChIKey is GRVHWWSPQFJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O3/c21-13-1-7-16(8-2-13)28-17-9-3-14(4-10-17)25-19(27)26-15-5-11-18(12-6-15)29-20(22,23)24/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,27).

What are the key properties of Urea-based compound, 23?

Urea-based compound, 23 has a molecular weight of 412.38 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Urea-based compound, 23 is sourced from PubChem (CID 25093351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 25093351 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.