3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea

C16H17FN2O — CID 135041649

IUPAC3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea
SMILESCc1ccc(NC(=O)N(C)C)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c1-11-4-9-15(18-16(20)19(2)3)14(10-11)12-5-7-13(17)8-6-12/h4-10H,1-3H3,(H,18,20)
InChIKeyGOPUHYWOEBVGCA-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.89
Rot. Bonds2

About 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea

3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea (PubChem CID 135041649) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea
PubChem CID135041649
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea
SMILESCc1ccc(NC(=O)N(C)C)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c1-11-4-9-15(18-16(20)19(2)3)14(10-11)12-5-7-13(17)8-6-12/h4-10H,1-3H3,(H,18,20)
InChIKeyGOPUHYWOEBVGCA-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
CID 69316354
3-[2-[3,5-bis(trifluoromethyl)phenyl]-5-methylphenyl]-1,1-dimethylurea
CID 135019305
3-(2-bromo-5-fluorophenyl)-1,1-dimethylurea
CID 103755890
1,1-dimethyl-3-[2-phenyl-4-(trifluoromethoxy)phenyl]urea
CID 135019693
3-(2-fluoro-4-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431097
3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
N-[4-acetyl-2-(4-methylphenyl)phenyl]acetamide
CID 126646825
N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide
CID 148600278
3-(2,4-dimethylphenyl)-1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1-methylurea
CID 53055339
3-(5-chloro-2-fluorophenyl)-1,1-dimethylurea
CID 112684763

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea (CID 135041649) is 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea is Cc1ccc(NC(=O)N(C)C)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea?
The InChIKey is GOPUHYWOEBVGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-4-9-15(18-16(20)19(2)3)14(10-11)12-5-7-13(17)8-6-12/h4-10H,1-3H3,(H,18,20).
What are the key properties of 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea?
3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea has a molecular weight of 272.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea is sourced from PubChem (CID 135041649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).