1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea

C15H14ClFN2O — CID 51046150

IUPAC1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-3-6-13(17)14(7-9)19-15(20)18-11-5-4-10(2)12(16)8-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGZXFWXBWJDZTEP-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.74
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea

1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 51046150) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
PubChem CID51046150
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-3-6-13(17)14(7-9)19-15(20)18-11-5-4-10(2)12(16)8-11/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyGZXFWXBWJDZTEP-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-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 51046135
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 107640736
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 65499725
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea (CID 51046150) is 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is GZXFWXBWJDZTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-3-6-13(17)14(7-9)19-15(20)18-11-5-4-10(2)12(16)8-11/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea?
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)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-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 51046150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).