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

C21H17F3N2O — CID 108867584

IUPAC1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)17-11-13-18(14-12-17)25-20(27)26-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,25,26,27)
InChIKeyPJOJGBVQXBITBR-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.62
Rot. Bonds4

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

1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 108867584) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID108867584
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F3N2O/c22-21(23,24)17-11-13-18(14-12-17)25-20(27)26-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,25,26,27)
InChIKeyPJOJGBVQXBITBR-UHFFFAOYSA-N
XLogP5.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
1-[(1R,2S)-2-amino-1,2-diphenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 57063171
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 70268536
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
4-(benzhydrylcarbamoylamino)benzenesulfonic acid
CID 108867379
1-cyclooctyl-3-[1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea;methane
CID 173354355
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea (CID 108867584) is 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PJOJGBVQXBITBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c22-21(23,24)17-11-13-18(14-12-17)25-20(27)26-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H2,25,26,27).
What are the key properties of 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea?
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 370.37 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108867584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).