1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea

C16H17F2N3O2 — CID 56782083

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCOc1ccc(F)cc1F)NCCc1cccnc1
InChIInChI=1S/C16H17F2N3O2/c17-13-3-4-15(14(18)10-13)23-9-8-21-16(22)20-7-5-12-2-1-6-19-11-12/h1-4,6,10-11H,5,7-9H2,(H2,20,21,22)
InChIKeyLNTVIKOSFSVIHI-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.28
Rot. Bonds7

About 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea

1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea (PubChem CID 56782083) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea
PubChem CID56782083
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea
SMILESO=C(NCCOc1ccc(F)cc1F)NCCc1cccnc1
InChIInChI=1S/C16H17F2N3O2/c17-13-3-4-15(14(18)10-13)23-9-8-21-16(22)20-7-5-12-2-1-6-19-11-12/h1-4,6,10-11H,5,7-9H2,(H2,20,21,22)
InChIKeyLNTVIKOSFSVIHI-UHFFFAOYSA-N
XLogP2.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3-hydroxybutyl)urea
CID 111337429
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,4-difluorophenoxy)ethyl]urea
CID 112976126
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 42520255
1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112970190
3-fluoro-4-(2-pyridin-3-ylethoxy)benzaldehyde
CID 107689567
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 112975469
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
3-(2-methoxyphenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 86921991

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea (CID 56782083) is 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea is O=C(NCCOc1ccc(F)cc1F)NCCc1cccnc1.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is LNTVIKOSFSVIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-13-3-4-15(14(18)10-13)23-9-8-21-16(22)20-7-5-12-2-1-6-19-11-12/h1-4,6,10-11H,5,7-9H2,(H2,20,21,22).
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea?
1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 321.33 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 56782083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).