1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea

C16H11Cl2F3N2O — CID 108904841

IUPAC1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
SMILESO=C(N/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11Cl2F3N2O/c17-11-5-6-14(12(9-11)16(19,20)21)23-15(24)22-8-7-10-3-1-2-4-13(10)18/h1-9H,(H2,22,23,24)/b8-7+
InChIKeyGHBHNCPJFZPVJB-BQYQJAHWSA-N
MW375.18 g/mol
LogP5.80
Rot. Bonds3

About 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea (PubChem CID 108904841) has the molecular formula C16H11Cl2F3N2O and a molecular weight of 375.18 g/mol. Its IUPAC name is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
PubChem CID108904841
Molecular FormulaC16H11Cl2F3N2O
Molecular Weight375.18 g/mol
Exact Mass374.02
IUPAC Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
SMILESO=C(N/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11Cl2F3N2O/c17-11-5-6-14(12(9-11)16(19,20)21)23-15(24)22-8-7-10-3-1-2-4-13(10)18/h1-9H,(H2,22,23,24)/b8-7+
InChIKeyGHBHNCPJFZPVJB-BQYQJAHWSA-N
XLogP5.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.18
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea
CID 108903352
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclohexylidenemethyl)urea
CID 108912646
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904303

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea (CID 108904841) is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea is O=C(N/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
The InChIKey is GHBHNCPJFZPVJB-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O/c17-11-5-6-14(12(9-11)16(19,20)21)23-15(24)22-8-7-10-3-1-2-4-13(10)18/h1-9H,(H2,22,23,24)/b8-7+.
What are the key properties of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea?
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea has a molecular weight of 375.18 g/mol, XLogP of 5.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108904841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).