3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

C15H16FN3O — CID 736116

IUPAC3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCN(CCc1ccccn1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-19(11-9-13-4-2-3-10-17-13)15(20)18-14-7-5-12(16)6-8-14/h2-8,10H,9,11H2,1H3,(H,18,20)
InChIKeyNPDHEFABWNETLY-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.93
Rot. Bonds4

About 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea

3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 736116) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID736116
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
SMILESCN(CCc1ccccn1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-19(11-9-13-4-2-3-10-17-13)15(20)18-14-7-5-12(16)6-8-14/h2-8,10H,9,11H2,1H3,(H,18,20)
InChIKeyNPDHEFABWNETLY-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea (CID 736116) is 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea is CN(CCc1ccccn1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is NPDHEFABWNETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(11-9-13-4-2-3-10-17-13)15(20)18-14-7-5-12(16)6-8-14/h2-8,10H,9,11H2,1H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea?
3-(4-fluorophenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 273.31 g/mol, XLogP of 2.93, 4 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-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 736116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).