1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea

C19H13F4N3O2 — CID 20596507

IUPAC1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
SMILESNC(=O)N(c1ccc(CO)c(-c2ccc(F)cc2F)n1)c1c(F)cccc1F
InChIInChI=1S/C19H13F4N3O2/c20-11-5-6-12(15(23)8-11)17-10(9-27)4-7-16(25-17)26(19(24)28)18-13(21)2-1-3-14(18)22/h1-8,27H,9H2,(H2,24,28)
InChIKeyGXFGPMPZRPCUAL-UHFFFAOYSA-N
MW391.32 g/mol
LogP4.01
Rot. Bonds4

About 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea

1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea (PubChem CID 20596507) has the molecular formula C19H13F4N3O2 and a molecular weight of 391.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
PubChem CID20596507
Molecular FormulaC19H13F4N3O2
Molecular Weight391.32 g/mol
Exact Mass391.09
IUPAC Name1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
SMILESNC(=O)N(c1ccc(CO)c(-c2ccc(F)cc2F)n1)c1c(F)cccc1F
InChIInChI=1S/C19H13F4N3O2/c20-11-5-6-12(15(23)8-11)17-10(9-27)4-7-16(25-17)26(19(24)28)18-13(21)2-1-3-14(18)22/h1-8,27H,9H2,(H2,24,28)
InChIKeyGXFGPMPZRPCUAL-UHFFFAOYSA-N
XLogP4.01
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 59635627
CID 59635627
CID 59635702
CID 59635702
CID 56714591
CID 56714591
CID 9802905
CID 9802905
CID 9843199
CID 9843199
CID 9910762
CID 9910762
CID 9952869
CID 9952869
CID 9953890
CID 9953890
CID 10119812
CID 10119812
CID 10139513
CID 10139513
CID 10140124
CID 10140124
CID 10140408
CID 10140408

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea (CID 20596507) is 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea is NC(=O)N(c1ccc(CO)c(-c2ccc(F)cc2F)n1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
The InChIKey is GXFGPMPZRPCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O2/c20-11-5-6-12(15(23)8-11)17-10(9-27)4-7-16(25-17)26(19(24)28)18-13(21)2-1-3-14(18)22/h1-8,27H,9H2,(H2,24,28).
What are the key properties of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea has a molecular weight of 391.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea is sourced from PubChem (CID 20596507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).