1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C15H11Br2F3N2O — CID 4180688

IUPAC1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(Br)cc(Br)c1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11Br2F3N2O/c1-8-5-10(16)7-12(17)13(8)22-14(23)21-11-4-2-3-9(6-11)15(18,19)20/h2-7H,1H3,(H2,21,22,23)
InChIKeyFYPAGKCQYDJFSF-UHFFFAOYSA-N
MW452.07 g/mol
LogP6.18
Rot. Bonds2

About 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 4180688) has the molecular formula C15H11Br2F3N2O and a molecular weight of 452.07 g/mol. Its IUPAC name is 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID4180688
Molecular FormulaC15H11Br2F3N2O
Molecular Weight452.07 g/mol
Exact Mass449.92
IUPAC Name1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(Br)cc(Br)c1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11Br2F3N2O/c1-8-5-10(16)7-12(17)13(8)22-14(23)21-11-4-2-3-9(6-11)15(18,19)20/h2-7H,1H3,(H2,21,22,23)
InChIKeyFYPAGKCQYDJFSF-UHFFFAOYSA-N
XLogP6.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.07
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17197570
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
1-[3-(tert-butylamino)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 146622176
1-(2,4-dibromo-6-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 19679831
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 4180688) is 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is Cc1cc(Br)cc(Br)c1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is FYPAGKCQYDJFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2F3N2O/c1-8-5-10(16)7-12(17)13(8)22-14(23)21-11-4-2-3-9(6-11)15(18,19)20/h2-7H,1H3,(H2,21,22,23).
What are the key properties of 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 452.07 g/mol, XLogP of 6.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromo-6-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 4180688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).