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

C16H18FN3O — CID 108866844

IUPAC1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-20(12-9-13-7-10-18-11-8-13)16(21)19-15-6-4-3-5-14(15)17/h3-8,10-11H,2,9,12H2,1H3,(H,19,21)
InChIKeyVXNYNIDWNDMWAH-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.32
Rot. Bonds5

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

1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea (PubChem CID 108866844) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea
PubChem CID108866844
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-20(12-9-13-7-10-18-11-8-13)16(21)19-15-6-4-3-5-14(15)17/h3-8,10-11H,2,9,12H2,1H3,(H,19,21)
InChIKeyVXNYNIDWNDMWAH-UHFFFAOYSA-N
XLogP3.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108522052
N-(2-chlorophenyl)-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108500313
3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
2-N-(2-fluorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098699
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796
N'-ethyl-N-(4-fluorophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108512603
N-(2-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109159133
3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108905138
1-ethyl-3-[2-fluoro-3-(trifluoromethyl)phenyl]-1-(pyridin-4-ylmethyl)urea
CID 3738164

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea (CID 108866844) is 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea is CCN(CCc1ccncc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea?
The InChIKey is VXNYNIDWNDMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-20(12-9-13-7-10-18-11-8-13)16(21)19-15-6-4-3-5-14(15)17/h3-8,10-11H,2,9,12H2,1H3,(H,19,21).
What are the key properties of 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea?
1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea has a molecular weight of 287.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluorophenyl)-1-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 108866844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).