1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea

C21H19F2N3O2 — CID 75463707

IUPAC1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
SMILESO=C(NCCc1cccc(F)c1F)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H19F2N3O2/c22-19-8-1-5-16(20(19)23)9-11-25-21(27)26-17-6-2-7-18(12-17)28-14-15-4-3-10-24-13-15/h1-8,10,12-13H,9,11,14H2,(H2,25,26,27)
InChIKeyLLPBZPIOMXXEJD-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.30
Rot. Bonds7

About 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea

1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea (PubChem CID 75463707) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
PubChem CID75463707
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
SMILESO=C(NCCc1cccc(F)c1F)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C21H19F2N3O2/c22-19-8-1-5-16(20(19)23)9-11-25-21(27)26-17-6-2-7-18(12-17)28-14-15-4-3-10-24-13-15/h1-8,10,12-13H,9,11,14H2,(H2,25,26,27)
InChIKeyLLPBZPIOMXXEJD-UHFFFAOYSA-N
XLogP4.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 166213427
(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
CID 119846196
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
3-chloro-6-fluoro-N-[3-(pyridin-3-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 55804939
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
1-[2-(2-fluorophenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101867

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea (CID 75463707) is 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea is O=C(NCCc1cccc(F)c1F)Nc1cccc(OCc2cccnc2)c1.
What is the InChIKey of 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
The InChIKey is LLPBZPIOMXXEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-19-8-1-5-16(20(19)23)9-11-25-21(27)26-17-6-2-7-18(12-17)28-14-15-4-3-10-24-13-15/h1-8,10,12-13H,9,11,14H2,(H2,25,26,27).
What are the key properties of 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea?
1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea has a molecular weight of 383.40 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluorophenyl)ethyl]-3-[3-(pyridin-3-ylmethoxy)phenyl]urea is sourced from PubChem (CID 75463707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).