3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea

C17H20FN3O — CID 86861279

IUPAC3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
SMILESCc1cc(CNC(=O)N(C)C(C)c2ccccn2)ccc1F
InChIInChI=1S/C17H20FN3O/c1-12-10-14(7-8-15(12)18)11-20-17(22)21(3)13(2)16-6-4-5-9-19-16/h4-10,13H,11H2,1-3H3,(H,20,22)
InChIKeyHGDUGTKYKLVQQA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.43
Rot. Bonds4

About 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea

3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea (PubChem CID 86861279) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
PubChem CID86861279
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
SMILESCc1cc(CNC(=O)N(C)C(C)c2ccccn2)ccc1F
InChIInChI=1S/C17H20FN3O/c1-12-10-14(7-8-15(12)18)11-20-17(22)21(3)13(2)16-6-4-5-9-19-16/h4-10,13H,11H2,1-3H3,(H,20,22)
InChIKeyHGDUGTKYKLVQQA-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861386
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
1-methyl-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861444
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431185
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 30886325
3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 45159766
3-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-methyl-1-(1-pyrimidin-4-ylethyl)urea
CID 122572098
1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86862939
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110970917
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126428727

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea (CID 86861279) is 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea is Cc1cc(CNC(=O)N(C)C(C)c2ccccn2)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
The InChIKey is HGDUGTKYKLVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-10-14(7-8-15(12)18)11-20-17(22)21(3)13(2)16-6-4-5-9-19-16/h4-10,13H,11H2,1-3H3,(H,20,22).
What are the key properties of 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea?
3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea has a molecular weight of 301.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 86861279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).