1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea

C15H14ClFN2O — CID 46859781

IUPAC1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-9-3-5-12(7-10(9)2)18-15(20)19-14-8-11(16)4-6-13(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGRPJRQRQAFIVHW-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.74
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea

1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea (PubChem CID 46859781) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
PubChem CID46859781
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-9-3-5-12(7-10(9)2)18-15(20)19-14-8-11(16)4-6-13(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGRPJRQRQAFIVHW-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
1-(5-chloro-2-methylphenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 98000868
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-(1,3-benzodioxol-5-yl)-3-(5-chloro-2-fluorophenyl)urea
CID 46860085
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859753
1-(2-amino-4-methylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894103

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea (CID 46859781) is 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1C.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
The InChIKey is GRPJRQRQAFIVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-3-5-12(7-10(9)2)18-15(20)19-14-8-11(16)4-6-13(14)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea?
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea has a molecular weight of 292.74 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 46859781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).