3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea

C17H18F2N2O — CID 135019931

IUPAC3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea
SMILESCc1cc(NC(=O)N(C)C)c(-c2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C17H18F2N2O/c1-10-5-15(12-7-13(18)9-14(19)8-12)16(6-11(10)2)20-17(22)21(3)4/h5-9H,1-4H3,(H,20,22)
InChIKeyDHGAUDSYDLBNMO-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.34
Rot. Bonds2

About 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea

3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea (PubChem CID 135019931) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea
PubChem CID135019931
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea
SMILESCc1cc(NC(=O)N(C)C)c(-c2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C17H18F2N2O/c1-10-5-15(12-7-13(18)9-14(19)8-12)16(6-11(10)2)20-17(22)21(3)4/h5-9H,1-4H3,(H,20,22)
InChIKeyDHGAUDSYDLBNMO-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea (CID 135019931) is 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea is Cc1cc(NC(=O)N(C)C)c(-c2cc(F)cc(F)c2)cc1C.
What is the InChIKey of 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea?
The InChIKey is DHGAUDSYDLBNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-10-5-15(12-7-13(18)9-14(19)8-12)16(6-11(10)2)20-17(22)21(3)4/h5-9H,1-4H3,(H,20,22).
What are the key properties of 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea?
3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea has a molecular weight of 304.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-difluorophenyl)-4,5-dimethylphenyl]-1,1-dimethylurea is sourced from PubChem (CID 135019931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).