1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea

C16H17F2N3O — CID 59012232

IUPAC1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea
SMILESO=C(NCCF)NC(Cc1ccccc1F)c1ccncc1
InChIInChI=1S/C16H17F2N3O/c17-7-10-20-16(22)21-15(12-5-8-19-9-6-12)11-13-3-1-2-4-14(13)18/h1-6,8-9,15H,7,10-11H2,(H2,20,21,22)
InChIKeyFFSQWKONUWBJNX-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea

1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea (PubChem CID 59012232) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea
PubChem CID59012232
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea
SMILESO=C(NCCF)NC(Cc1ccccc1F)c1ccncc1
InChIInChI=1S/C16H17F2N3O/c17-7-10-20-16(22)21-15(12-5-8-19-9-6-12)11-13-3-1-2-4-14(13)18/h1-6,8-9,15H,7,10-11H2,(H2,20,21,22)
InChIKeyFFSQWKONUWBJNX-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
CID 59012208
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea
CID 59012224
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea
CID 111506991
1-[(2R)-1-(2-fluorophenyl)propan-2-yl]-3-(3,3,3-trifluoropropyl)urea
CID 97087860
1-[1-(2-fluorophenyl)propan-2-yl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111505163
1-[2-(2-fluorophenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512687
1-(3-aminopropyl)-3-[(2-fluorophenyl)methyl]urea
CID 117235553
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea (CID 59012232) is 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea is O=C(NCCF)NC(Cc1ccccc1F)c1ccncc1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea?
The InChIKey is FFSQWKONUWBJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-7-10-20-16(22)21-15(12-5-8-19-9-6-12)11-13-3-1-2-4-14(13)18/h1-6,8-9,15H,7,10-11H2,(H2,20,21,22).
What are the key properties of 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea?
1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea has a molecular weight of 305.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 59012232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).