1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea

C16H19FN2O — CID 143402372

IUPAC1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea
SMILESCNC(=O)Nc1ccc(C)cc1.Cc1cccc(F)c1
InChIInChI=1S/C9H12N2O.C7H7F/c1-7-3-5-8(6-4-7)11-9(12)10-2;1-6-3-2-4-7(8)5-6/h3-6H,1-2H3,(H2,10,11,12);2-5H,1H3
InChIKeyPTKQYDWAKPPPCQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.88
Rot. Bonds1

About 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea

1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea (PubChem CID 143402372) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea
PubChem CID143402372
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea
SMILESCNC(=O)Nc1ccc(C)cc1.Cc1cccc(F)c1
InChIInChI=1S/C9H12N2O.C7H7F/c1-7-3-5-8(6-4-7)11-9(12)10-2;1-6-3-2-4-7(8)5-6/h3-6H,1-2H3,(H2,10,11,12);2-5H,1H3
InChIKeyPTKQYDWAKPPPCQ-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-[4-[(3-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744329
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(4-fluoro-2-iodophenyl)-3-(4-methylphenyl)urea
CID 79766973
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
CID 134123027
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea?
The IUPAC name of 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea (CID 143402372) is 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea?
The canonical SMILES for 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea is CNC(=O)Nc1ccc(C)cc1.Cc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea?
The InChIKey is PTKQYDWAKPPPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C7H7F/c1-7-3-5-8(6-4-7)11-9(12)10-2;1-6-3-2-4-7(8)5-6/h3-6H,1-2H3,(H2,10,11,12);2-5H,1H3.
What are the key properties of 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea?
1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea has a molecular weight of 274.34 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylbenzene;1-methyl-3-(4-methylphenyl)urea is sourced from PubChem (CID 143402372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).