1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea

C16H17F2N3O — CID 87593273

IUPAC1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea
SMILESO=C(NCCF)NCCc1cccnc1-c1cccc(F)c1
InChIInChI=1S/C16H17F2N3O/c17-7-10-21-16(22)20-9-6-12-4-2-8-19-15(12)13-3-1-5-14(18)11-13/h1-5,8,11H,6-7,9-10H2,(H2,20,21,22)
InChIKeyPVDRECGZQZEGFP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.70
Rot. Bonds6

About 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea

1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea (PubChem CID 87593273) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea
PubChem CID87593273
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea
SMILESO=C(NCCF)NCCc1cccnc1-c1cccc(F)c1
InChIInChI=1S/C16H17F2N3O/c17-7-10-21-16(22)20-9-6-12-4-2-8-19-15(12)13-3-1-5-14(18)11-13/h1-5,8,11H,6-7,9-10H2,(H2,20,21,22)
InChIKeyPVDRECGZQZEGFP-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea (CID 87593273) is 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea is O=C(NCCF)NCCc1cccnc1-c1cccc(F)c1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea?
The InChIKey is PVDRECGZQZEGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-7-10-21-16(22)20-9-6-12-4-2-8-19-15(12)13-3-1-5-14(18)11-13/h1-5,8,11H,6-7,9-10H2,(H2,20,21,22).
What are the key properties of 1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea?
1-(2-fluoroethyl)-3-[2-[2-(3-fluorophenyl)-3-pyridinyl]ethyl]urea has a molecular weight of 305.33 g/mol, XLogP of 2.70, 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-(3-fluorophenyl)-3-pyridinyl]ethyl]urea is sourced from PubChem (CID 87593273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).