1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea

C15H12F4N2O — CID 46859836

IUPAC1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2O/c1-9-6-7-11(16)13(8-9)21-14(22)20-12-5-3-2-4-10(12)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyROQFZAWCAXNDJF-UHFFFAOYSA-N
MW312.27 g/mol
LogP4.80
Rot. Bonds2

About 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 46859836) has the molecular formula C15H12F4N2O and a molecular weight of 312.27 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID46859836
Molecular FormulaC15H12F4N2O
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H12F4N2O/c1-9-6-7-11(16)13(8-9)21-14(22)20-12-5-3-2-4-10(12)15(17,18)19/h2-8H,1H3,(H2,20,21,22)
InChIKeyROQFZAWCAXNDJF-UHFFFAOYSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 6468024
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
N-(2-fluoro-5-methylphenyl)-2-hydrazinylbenzamide
CID 62243099
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 46859836) is 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea is Cc1ccc(F)c(NC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ROQFZAWCAXNDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O/c1-9-6-7-11(16)13(8-9)21-14(22)20-12-5-3-2-4-10(12)15(17,18)19/h2-8H,1H3,(H2,20,21,22).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 312.27 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 46859836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).