(4-fluoro-2,5-dimethylphenyl)urea

C9H11FN2O — CID 130686270

IUPAC(4-fluoro-2,5-dimethylphenyl)urea
SMILESCc1cc(NC(N)=O)c(C)cc1F
InChIInChI=1S/C9H11FN2O/c1-5-4-8(12-9(11)13)6(2)3-7(5)10/h3-4H,1-2H3,(H3,11,12,13)
InChIKeyUJKNSXMJQXSXNH-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.93
Rot. Bonds1

About (4-fluoro-2,5-dimethylphenyl)urea

(4-fluoro-2,5-dimethylphenyl)urea (PubChem CID 130686270) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (4-fluoro-2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name(4-fluoro-2,5-dimethylphenyl)urea
PubChem CID130686270
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(4-fluoro-2,5-dimethylphenyl)urea
SMILESCc1cc(NC(N)=O)c(C)cc1F
InChIInChI=1S/C9H11FN2O/c1-5-4-8(12-9(11)13)6(2)3-7(5)10/h3-4H,1-2H3,(H3,11,12,13)
InChIKeyUJKNSXMJQXSXNH-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
(4-ethoxy-2,5-dimethylphenyl)urea
CID 82492490
4-fluoro-2,5-dimethylbenzamide
CID 119025196
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
N-carbamoyl-2-(2,5-difluoro-4-methylanilino)propanamide
CID 103585757
N-(5-fluoro-2-methyl-4-sulfamoylphenyl)acetamide
CID 20553706
N-(2,4,5-trimethylphenyl)carbamoyl fluoride
CID 88834231
N-(4-fluoro-2-methyl-5-phenylphenyl)acetamide
CID 70668820
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
(2-methylphenyl)urea;phosphane
CID 175888509
1-carbamothioyl-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586162
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,5-dimethylphenyl)urea?
The IUPAC name of (4-fluoro-2,5-dimethylphenyl)urea (CID 130686270) is (4-fluoro-2,5-dimethylphenyl)urea.
What is the SMILES notation for (4-fluoro-2,5-dimethylphenyl)urea?
The canonical SMILES for (4-fluoro-2,5-dimethylphenyl)urea is Cc1cc(NC(N)=O)c(C)cc1F.
What is the InChIKey of (4-fluoro-2,5-dimethylphenyl)urea?
The InChIKey is UJKNSXMJQXSXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5-4-8(12-9(11)13)6(2)3-7(5)10/h3-4H,1-2H3,(H3,11,12,13).
What are the key properties of (4-fluoro-2,5-dimethylphenyl)urea?
(4-fluoro-2,5-dimethylphenyl)urea has a molecular weight of 182.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,5-dimethylphenyl)urea is sourced from PubChem (CID 130686270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).