1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea

C17H16FN3O2 — CID 119035185

IUPAC1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1ccccn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H16FN3O2/c1-11(16-9-12-8-13(18)5-6-15(12)23-16)21-17(22)20-10-14-4-2-3-7-19-14/h2-9,11H,10H2,1H3,(H2,20,21,22)
InChIKeyMPLOLVAHRTTZNK-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.53
Rot. Bonds4

About 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea

1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 119035185) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID119035185
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESCC(NC(=O)NCc1ccccn1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H16FN3O2/c1-11(16-9-12-8-13(18)5-6-15(12)23-16)21-17(22)20-10-14-4-2-3-7-19-14/h2-9,11H,10H2,1H3,(H2,20,21,22)
InChIKeyMPLOLVAHRTTZNK-UHFFFAOYSA-N
XLogP3.53
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 100700326
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006399
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 41406085
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 135378033
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
2,4-difluoro-N-(pyridin-2-ylmethyl)benzamide
CID 9414595
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea (CID 119035185) is 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea is CC(NC(=O)NCc1ccccn1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is MPLOLVAHRTTZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11(16-9-12-8-13(18)5-6-15(12)23-16)21-17(22)20-10-14-4-2-3-7-19-14/h2-9,11H,10H2,1H3,(H2,20,21,22).
What are the key properties of 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea?
1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 313.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 119035185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).