1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea

C16H17FN2O — CID 47192342

IUPAC1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccc(F)c2)cc1C
InChIInChI=1S/C16H17FN2O/c1-11-6-7-15(8-12(11)2)19-16(20)18-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeySVGZSFJIJOQHRP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.76
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea

1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea (PubChem CID 47192342) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
PubChem CID47192342
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2cccc(F)c2)cc1C
InChIInChI=1S/C16H17FN2O/c1-11-6-7-15(8-12(11)2)19-16(20)18-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeySVGZSFJIJOQHRP-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
1-[(3-fluorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 108898480
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-[(3-fluorophenyl)methyl]-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872736
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
1-[(3-fluorophenyl)methyl]-3-(3-nitrophenyl)urea
CID 108898481

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea (CID 47192342) is 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea is Cc1ccc(NC(=O)NCc2cccc(F)c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea?
The InChIKey is SVGZSFJIJOQHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-7-15(8-12(11)2)19-16(20)18-10-13-4-3-5-14(17)9-13/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea?
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea has a molecular weight of 272.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 47192342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).