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

C15H12ClF3N2O — CID 51046194

IUPAC1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1C(F)(F)F)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O/c16-12-7-3-4-8-13(12)21-14(22)20-9-10-5-1-2-6-11(10)15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyQVDLDCHSQKGUPY-UHFFFAOYSA-N
MW328.72 g/mol
LogP4.68
Rot. Bonds3

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

1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 51046194) has the molecular formula C15H12ClF3N2O and a molecular weight of 328.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
PubChem CID51046194
Molecular FormulaC15H12ClF3N2O
Molecular Weight328.72 g/mol
Exact Mass328.06
IUPAC Name1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1C(F)(F)F)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O/c16-12-7-3-4-8-13(12)21-14(22)20-9-10-5-1-2-6-11(10)15(17,18)19/h1-8H,9H2,(H2,20,21,22)
InChIKeyQVDLDCHSQKGUPY-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(2-chlorophenyl)methyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]urea
CID 17087720
2-chloro-N-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]acetamide
CID 62880642
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
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3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879
1-[4-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 5000103
1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119101576
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea (CID 51046194) is 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccccc1C(F)(F)F)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is QVDLDCHSQKGUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O/c16-12-7-3-4-8-13(12)21-14(22)20-9-10-5-1-2-6-11(10)15(17,18)19/h1-8H,9H2,(H2,20,21,22).
What are the key properties of 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea?
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 328.72 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 51046194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).