1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C21H15F3N2O2 — CID 134095686

IUPAC1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)16-7-4-8-18(13-16)26-20(28)25-17-11-9-15(10-12-17)19(27)14-5-2-1-3-6-14/h1-13H,(H2,25,26,28)
InChIKeyMFMCACIXGQLTME-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.58
Rot. Bonds4

About 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 134095686) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID134095686
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O2/c22-21(23,24)16-7-4-8-18(13-16)26-20(28)25-17-11-9-15(10-12-17)19(27)14-5-2-1-3-6-14/h1-13H,(H2,25,26,28)
InChIKeyMFMCACIXGQLTME-UHFFFAOYSA-N
XLogP5.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
1-[4-[2-(4-benzylpyridin-1-ium-1-yl)acetyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90486718
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 134095686) is 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is MFMCACIXGQLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c22-21(23,24)16-7-4-8-18(13-16)26-20(28)25-17-11-9-15(10-12-17)19(27)14-5-2-1-3-6-14/h1-13H,(H2,25,26,28).
What are the key properties of 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 384.36 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 134095686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).