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

C20H15F4N3O2 — CID 142715612

IUPAC[2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1cccc(F)c1
InChIInChI=1S/C20H15F4N3O2/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)
InChIKeyMJYMRUDNRCWTSZ-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.98
Rot. Bonds5

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

[2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea (PubChem CID 142715612) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name[2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea
PubChem CID142715612
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name[2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1cccc(F)c1
InChIInChI=1S/C20H15F4N3O2/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)
InChIKeyMJYMRUDNRCWTSZ-UHFFFAOYSA-N
XLogP4.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
3-[3-(Benzyloxy)pyridin-2-yl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5020377
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
1-(2,4-Difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11575089
1-(4-Phenylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11648059
N-[4-(2-Pyridinylmethoxy)phenyl]-5-methyl-6-(trifluoromethyl)indoline-1-carboxamide
CID 44214723
1-(2,4-Difluorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68529945
1-(4-Fluorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68530233
1-(2,4-Difluorophenyl)-3-[2-(2-ethylphenoxy)-3-pyridinyl]urea
CID 68530361

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
The IUPAC name of [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea (CID 142715612) is [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea is NC(=O)Nc1ccc(C(F)(F)F)cc1-c1ncccc1OCc1cccc(F)c1.
What is the InChIKey of [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
The InChIKey is MJYMRUDNRCWTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/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-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea?
[2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea has a molecular weight of 405.35 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(3-fluorophenyl)methoxy]-2-pyridinyl]-4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 142715612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).