1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea

C15H12FN3O — CID 46860121

IUPAC1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCc1c(F)cccc1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H12FN3O/c1-10-13(16)3-2-4-14(10)19-15(20)18-12-7-5-11(9-17)6-8-12/h2-8H,1H3,(H2,18,19,20)
InChIKeyHAJFKCPZAOWQBW-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.65
Rot. Bonds2

About 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea

1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea (PubChem CID 46860121) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
PubChem CID46860121
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCc1c(F)cccc1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H12FN3O/c1-10-13(16)3-2-4-14(10)19-15(20)18-12-7-5-11(9-17)6-8-12/h2-8H,1H3,(H2,18,19,20)
InChIKeyHAJFKCPZAOWQBW-UHFFFAOYSA-N
XLogP3.65
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 46860176
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
1-(4-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 3285930
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
N-(4-cyanophenyl)-2-fluoro-6-hydroxybenzamide
CID 104917041
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea (CID 46860121) is 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea is Cc1c(F)cccc1NC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea?
The InChIKey is HAJFKCPZAOWQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-10-13(16)3-2-4-14(10)19-15(20)18-12-7-5-11(9-17)6-8-12/h2-8H,1H3,(H2,18,19,20).
What are the key properties of 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea?
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea has a molecular weight of 269.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 46860121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).