1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea

C15H11Cl2F3N2O — CID 4678007

IUPAC1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2F3N2O/c16-11-5-2-6-12(13(11)17)22-14(23)21-8-9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H2,21,22,23)
InChIKeyQDXCJBFXUSHBQF-UHFFFAOYSA-N
MW363.17 g/mol
LogP5.33
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea

1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 4678007) has the molecular formula C15H11Cl2F3N2O and a molecular weight of 363.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID4678007
Molecular FormulaC15H11Cl2F3N2O
Molecular Weight363.17 g/mol
Exact Mass362.02
IUPAC Name1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2F3N2O/c16-11-5-2-6-12(13(11)17)22-14(23)21-8-9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H2,21,22,23)
InChIKeyQDXCJBFXUSHBQF-UHFFFAOYSA-N
XLogP5.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.17
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60600233
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
1-isoquinolin-5-yl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 11725098
1-(4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4531191
1-(2-pyrazol-1-ylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47040921
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanediamide
CID 36505459

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 4678007) is 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is QDXCJBFXUSHBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O/c16-11-5-2-6-12(13(11)17)22-14(23)21-8-9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H2,21,22,23).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 363.17 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 4678007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).