[2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea

C20H15ClF3N3O2 — CID 142715651

IUPAC[2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H15ClF3N3O2/c21-14-4-1-3-12(9-14)11-29-17-5-2-8-26-18(17)15-10-13(20(22,23)24)6-7-16(15)27-19(25)28/h1-10H,11H2,(H3,25,27,28)
InChIKeyDKVNVIGKENPHKJ-UHFFFAOYSA-N
MW421.81 g/mol
LogP5.49
Rot. Bonds5

About [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea

[2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea (PubChem CID 142715651) has the molecular formula C20H15ClF3N3O2 and a molecular weight of 421.81 g/mol. Its IUPAC name is [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea
PubChem CID142715651
Molecular FormulaC20H15ClF3N3O2
Molecular Weight421.81 g/mol
Exact Mass421.08
IUPAC Name[2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H15ClF3N3O2/c21-14-4-1-3-12(9-14)11-29-17-5-2-8-26-18(17)15-10-13(20(22,23)24)6-7-16(15)27-19(25)28/h1-10H,11H2,(H3,25,27,28)
InChIKeyDKVNVIGKENPHKJ-UHFFFAOYSA-N
XLogP5.49
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.81
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10155760, Example 147
CID 118429884
1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
1-(3-Benzyloxy-2-pyridyl)-3-(2-chlorophenyl)urea
CID 11638938
1-(3-Benzyloxy-2-pyridyl)-3-(4-chlorophenyl)urea
CID 11660364
1-(4-Chlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68528291
1-(3-Chlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68534894
US10155760, Example 158
CID 118420068
US10155760, Example 169
CID 118420060
(E)-1-(4-(4-(3-chloro-5-((pyridin-3-yloxy)methyl)styryl)phenyl)piperazin-1-yl)ethanone
CID 122439266
US11802122, Example 53
CID 162509584
US20230312528, Example 53
CID 169429117
1-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]-3-propan-2-ylurea
CID 2746086

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea (CID 142715651) is [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea is NC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1cccc(Cl)c1.
What is the InChIKey of [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
The InChIKey is DKVNVIGKENPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2/c21-14-4-1-3-12(9-14)11-29-17-5-2-8-26-18(17)15-10-13(20(22,23)24)6-7-16(15)27-19(25)28/h1-10H,11H2,(H3,25,27,28).
What are the key properties of [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
[2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea has a molecular weight of 421.81 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 142715651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).