1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea

C14H9F6N3O2 — CID 2800832

IUPAC1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N3O2/c15-13(16,17)8-5-10(7-21-6-8)23-12(24)22-9-1-3-11(4-2-9)25-14(18,19)20/h1-7H,(H2,22,23,24)
InChIKeyTUSVXLJYJYJKDC-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.64
Rot. Bonds3

About 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea

1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 2800832) has the molecular formula C14H9F6N3O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID2800832
Molecular FormulaC14H9F6N3O2
Molecular Weight365.23 g/mol
Exact Mass365.06
IUPAC Name1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C14H9F6N3O2/c15-13(16,17)8-5-10(7-21-6-8)23-12(24)22-9-1-3-11(4-2-9)25-14(18,19)20/h1-7H,(H2,22,23,24)
InChIKeyTUSVXLJYJYJKDC-UHFFFAOYSA-N
XLogP4.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
4-[3-(4-Trifluoromethyl-phenoxy)-benzyl]-piperazine-1-carboxylic acid pyridin-3-ylamide
CID 52914987
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
4-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 742765
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
3-(2-methoxyphenyl)-N-3-pyridinylacrylamide
CID 895797
N-(3-methoxyphenyl)-N'-3-pyridinylurea
CID 1297960
1-[2-(Difluoromethoxy)phenyl]-3-pyridin-3-ylthiourea
CID 2421690
isonicotinaldehyde O-{[(4-methoxyphenyl)amino]carbonyl}oxime
CID 5722938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea (CID 2800832) is 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cncc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is TUSVXLJYJYJKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O2/c15-13(16,17)8-5-10(7-21-6-8)23-12(24)22-9-1-3-11(4-2-9)25-14(18,19)20/h1-7H,(H2,22,23,24).
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea?
1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 365.23 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]-3-[5-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 2800832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).