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

C20H16F3N3O2 — CID 142715589

IUPAC[2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1ccccc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-8-9-16(26-19(24)27)15(11-14)18-17(7-4-10-25-18)28-12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,24,26,27)
InChIKeyCBRDWOLXUNUQKB-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.84
Rot. Bonds5

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

[2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea (PubChem CID 142715589) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea
PubChem CID142715589
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name[2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1ccccc1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-8-9-16(26-19(24)27)15(11-14)18-17(7-4-10-25-18)28-12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,24,26,27)
InChIKeyCBRDWOLXUNUQKB-UHFFFAOYSA-N
XLogP4.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pilavapadin
CID 118419773
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
Aak1-IN-5
CID 118420559
US10155760, Example 125
CID 118429626
US10155760, Example 122
CID 118429629
3-[3-(Benzyloxy)pyridin-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5020377
{3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-phenyl}-urea
CID 11675245
1-(3-Benzyloxy-2-pyridyl)-3-(2,4-difluorophenyl)urea
CID 11717355
1-(3-Benzyloxy-2-pyridyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 11718015
1-[2-(Pyridin-2-ylmethyloxy)pyridin-5-ylcarbamoyl]-5trifluoromethylindoline
CID 10835585
1-(4-Tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11510223

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea (CID 142715589) is [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea is NC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1ccccc1.
What is the InChIKey of [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea?
The InChIKey is CBRDWOLXUNUQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)14-8-9-16(26-19(24)27)15(11-14)18-17(7-4-10-25-18)28-12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,24,26,27).
What are the key properties of [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea?
[2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea has a molecular weight of 387.36 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylmethoxy-2-pyridinyl)-4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 142715589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).