1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea

C18H13F2N3O — CID 122180048

IUPAC1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O/c19-16-8-7-15(10-17(16)20)23-18(24)22-14-5-3-12(4-6-14)13-2-1-9-21-11-13/h1-11H,(H2,22,23,24)
InChIKeyPFXALHYSFWFDLK-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.67
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea

1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea (PubChem CID 122180048) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea
PubChem CID122180048
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O/c19-16-8-7-15(10-17(16)20)23-18(24)22-14-5-3-12(4-6-14)13-2-1-9-21-11-13/h1-11H,(H2,22,23,24)
InChIKeyPFXALHYSFWFDLK-UHFFFAOYSA-N
XLogP4.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea (CID 122180048) is 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea is O=C(Nc1ccc(-c2cccnc2)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea?
The InChIKey is PFXALHYSFWFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c19-16-8-7-15(10-17(16)20)23-18(24)22-14-5-3-12(4-6-14)13-2-1-9-21-11-13/h1-11H,(H2,22,23,24).
What are the key properties of 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea?
1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea has a molecular weight of 325.32 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)urea is sourced from PubChem (CID 122180048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).