Urea, 3-(m-fluorophenyl)-1,1-dimethyl-

HCID 9501

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Basic information

CAS: 330-39-2
Standard SMILES: CN(C)C(=O)Nc1cccc(F)c1
InChIKey: ANWCBSUPTRJETC-UHFFFAOYSA-N
Molecular formula: C9H11FN2O
Average molar mass: 182.19 g/mol
Monoisotopic mass: 182.08554114

Names & identifiers

Preferred name: Urea, 3-(m-fluorophenyl)-1,1-dimethyl-
IUPAC: 3-(3-fluorophenyl)-1,1-dimethylurea

Names & synonyms

330-39-2Urea, 3-(m-fluorophenyl)-1,1-dimethyl-N'-(3-FLUOROPHENYL)-N,N-DIMETHYLUREACHEMBL2271011SCHEMBL10344806SCHEMBL23169533DTXSID80186634AKOS002960487

Database identifiers

CAS: 330-39-2
PubChem CID: 9501
DTXSID: DTXSID80186634
ChEMBL: CHEMBL2271011
Nikkaji: J554.026G

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Experimental & physicochemical properties

LogP1.37

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