3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea

C13H13FN2OS — CID 27868223

IUPAC3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN2OS/c1-16(9-12-3-2-8-18-12)13(17)15-11-6-4-10(14)5-7-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyWOXQEJYKNUPPAZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.55
Rot. Bonds3

About 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea

3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 27868223) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
PubChem CID27868223
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H13FN2OS/c1-16(9-12-3-2-8-18-12)13(17)15-11-6-4-10(14)5-7-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyWOXQEJYKNUPPAZ-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55743890
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 22510485
3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55697476
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18114254
2-fluoro-4-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]benzamide
CID 71992346
4-fluoro-N-[(2R)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 38735611
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
3-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 38562542
1-(2-chloroethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441663

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea (CID 27868223) is 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea is CN(Cc1cccs1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is WOXQEJYKNUPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-16(9-12-3-2-8-18-12)13(17)15-11-6-4-10(14)5-7-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea?
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 264.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 27868223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).