1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea

C20H16F3N3O3 — CID 162542494

IUPAC1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(Oc2ccc(N(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)cn1
InChIInChI=1S/C20H16F3N3O3/c1-28-18-10-9-17(12-25-18)29-16-7-5-14(6-8-16)26(19(24)27)15-4-2-3-13(11-15)20(21,22)23/h2-12H,1H3,(H2,24,27)
InChIKeyZFAZXEGNZWBGLH-UHFFFAOYSA-N
MW403.36 g/mol
LogP5.12
Rot. Bonds5

About 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea

1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea (PubChem CID 162542494) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea
PubChem CID162542494
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(Oc2ccc(N(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)cn1
InChIInChI=1S/C20H16F3N3O3/c1-28-18-10-9-17(12-25-18)29-16-7-5-14(6-8-16)26(19(24)27)15-4-2-3-13(11-15)20(21,22)23/h2-12H,1H3,(H2,24,27)
InChIKeyZFAZXEGNZWBGLH-UHFFFAOYSA-N
XLogP5.12
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.36
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
1-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
1-(4-Tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11510223
1-[2-(2-Propan-2-ylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11510273
1-(2,4-Difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 11531074
1-(2,4-Difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11575089
Methyl-o-tolyl-carbamic acid 4-(trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635515
Methyl-p-tolyl-carbamic acid 4-(5-trifluoromethyl-pyridin-2-yloxy)-phenyl ester
CID 23635516
(4-Methoxy-phenyl)-methyl-carbamic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635633

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea (CID 162542494) is 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea is COc1ccc(Oc2ccc(N(C(N)=O)c3cccc(C(F)(F)F)c3)cc2)cn1.
What is the InChIKey of 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ZFAZXEGNZWBGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-28-18-10-9-17(12-25-18)29-16-7-5-14(6-8-16)26(19(24)27)15-4-2-3-13(11-15)20(21,22)23/h2-12H,1H3,(H2,24,27).
What are the key properties of 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea?
1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 403.36 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methoxy-3-pyridinyl)oxy]phenyl]-1-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 162542494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).