1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

C15H12F4N2O2 — CID 46860155

IUPAC1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1c(F)cccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F4N2O2/c1-9-12(16)3-2-4-13(9)21-14(22)20-10-5-7-11(8-6-10)23-15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyIKAINBYRUYPWRT-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.68
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 46860155) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID46860155
Molecular FormulaC15H12F4N2O2
Molecular Weight328.27 g/mol
Exact Mass328.08
IUPAC Name1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1c(F)cccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12F4N2O2/c1-9-12(16)3-2-4-13(9)21-14(22)20-10-5-7-11(8-6-10)23-15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyIKAINBYRUYPWRT-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71228197
1-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 46860176
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 32509495
1-[2-(4-phenoxycyclohexa-2,4-dien-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 70837838
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 46860155) is 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is Cc1c(F)cccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is IKAINBYRUYPWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c1-9-12(16)3-2-4-13(9)21-14(22)20-10-5-7-11(8-6-10)23-15(17,18)19/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 328.27 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 46860155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).