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

C21H17F3N2O2 — CID 71228197

IUPAC1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1ccc(-c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O2/c1-14-6-8-15(9-7-14)18-4-2-3-5-19(18)26-20(27)25-16-10-12-17(13-11-16)28-21(22,23)24/h2-13H,1H3,(H2,25,26,27)
InChIKeyKYCWQUQRUMCXLL-UHFFFAOYSA-N
MW386.37 g/mol
LogP6.20
Rot. Bonds4

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

1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 71228197) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID71228197
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1ccc(-c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H17F3N2O2/c1-14-6-8-15(9-7-14)18-4-2-3-5-19(18)26-20(27)25-16-10-12-17(13-11-16)28-21(22,23)24/h2-13H,1H3,(H2,25,26,27)
InChIKeyKYCWQUQRUMCXLL-UHFFFAOYSA-N
XLogP6.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
[2-(4-chlorophenyl)anilino]-[4-(trifluoromethoxy)anilino]methanol
CID 162553114
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
1-[2-(trifluoromethoxy)phenyl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 118675094
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
(2R)-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 51428415
1-(2-carbazol-9-yl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11525482
N-[4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1H-pyrrol-2-yl]acetamide
CID 141148209
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-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 71228197) is 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is Cc1ccc(-c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is KYCWQUQRUMCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-14-6-8-15(9-7-14)18-4-2-3-5-19(18)26-20(27)25-16-10-12-17(13-11-16)28-21(22,23)24/h2-13H,1H3,(H2,25,26,27).
What are the key properties of 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 386.37 g/mol, XLogP of 6.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 71228197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).