1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C20H15F3N2O — CID 2421688

IUPAC1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)15-9-6-10-16(13-15)24-19(26)25-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H,(H2,24,25,26)
InChIKeyFGFJRLSAMPYWTP-UHFFFAOYSA-N
MW356.35 g/mol
LogP6.02
Rot. Bonds3

About 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 2421688) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID2421688
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)15-9-6-10-16(13-15)24-19(26)25-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H,(H2,24,25,26)
InChIKeyFGFJRLSAMPYWTP-UHFFFAOYSA-N
XLogP6.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-phenylphenyl)urea;1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(4-phenylphenyl)urea;1-(5-ethylsulfonyl-2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 161340753
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 2421688) is 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is FGFJRLSAMPYWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)15-9-6-10-16(13-15)24-19(26)25-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13H,(H2,24,25,26).
What are the key properties of 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 356.35 g/mol, XLogP of 6.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2421688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).