3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea

C9H10ClFN2O — CID 112684763

IUPAC3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClFN2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeySLKBATJUKWQBHG-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.57
Rot. Bonds1

About 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea

3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea (PubChem CID 112684763) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
PubChem CID112684763
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C9H10ClFN2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeySLKBATJUKWQBHG-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
4-[(5-chloro-2-fluorophenyl)carbamoyl-methylamino]butanoic acid
CID 43438601
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
methyl 2-(5-chloro-2-fluoroanilino)-2-oxoacetate
CID 112616665
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
2,2-dichloro-N-(5-chloro-2-fluorophenyl)acetamide
CID 44519506
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
CID 78786317
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea (CID 112684763) is 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea?
The InChIKey is SLKBATJUKWQBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea?
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea has a molecular weight of 216.64 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea is sourced from PubChem (CID 112684763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).