1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea

C14H9F5N2O — CID 98000610

IUPAC1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H9F5N2O/c15-9-3-6-11(16)12(7-9)21-13(22)20-10-4-1-8(2-5-10)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyCOPUURFNOBIIGK-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.63
Rot. Bonds2

About 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 98000610) has the molecular formula C14H9F5N2O and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID98000610
Molecular FormulaC14H9F5N2O
Molecular Weight316.23 g/mol
Exact Mass316.06
IUPAC Name1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H9F5N2O/c15-9-3-6-11(16)12(7-9)21-13(22)20-10-4-1-8(2-5-10)14(17,18)19/h1-7H,(H2,20,21,22)
InChIKeyCOPUURFNOBIIGK-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 57011310
2-fluoro-N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide
CID 121264642
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(4-chlorophenyl)-3-(3,5-difluoro-2-hydroxyphenyl)urea;1-(3,5-dichlorophenyl)-3-(3,5-difluoro-2-hydroxyphenyl)urea;1-(3,5-difluoro-2-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 157385128
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
1-[4-(1-aminoethyl)phenyl]-3-(2,5-difluorophenyl)urea
CID 61340178
(Z)-3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enamide
CID 78427114
ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]prop-2-enamide
CID 123142884
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
methyl 5-fluoro-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]indole-1-carboxylate
CID 175407578

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 98000610) is 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is COPUURFNOBIIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N2O/c15-9-3-6-11(16)12(7-9)21-13(22)20-10-4-1-8(2-5-10)14(17,18)19/h1-7H,(H2,20,21,22).
What are the key properties of 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 316.23 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 98000610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).