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

C20H15F4N3O2 — CID 20596506

IUPAC1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea
SMILESNC(=O)N(c1ccc(CCO)c(-c2ccc(F)cc2F)n1)c1c(F)cccc1F
InChIInChI=1S/C20H15F4N3O2/c21-12-5-6-13(16(24)10-12)18-11(8-9-28)4-7-17(26-18)27(20(25)29)19-14(22)2-1-3-15(19)23/h1-7,10,28H,8-9H2,(H2,25,29)
InChIKeyLFVCKNIJBFVYCL-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.06
Rot. Bonds5

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

1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea (PubChem CID 20596506) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea
PubChem CID20596506
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea
SMILESNC(=O)N(c1ccc(CCO)c(-c2ccc(F)cc2F)n1)c1c(F)cccc1F
InChIInChI=1S/C20H15F4N3O2/c21-12-5-6-13(16(24)10-12)18-11(8-9-28)4-7-17(26-18)27(20(25)29)19-14(22)2-1-3-15(19)23/h1-7,10,28H,8-9H2,(H2,25,29)
InChIKeyLFVCKNIJBFVYCL-UHFFFAOYSA-N
XLogP4.06
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea with MolForge

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Related Compounds

[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl acetate
CID 9802905
1-(2,6-Difluorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
CID 9843199
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl carbamate
CID 9910762
1-(2,6-Difluorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea
CID 9952869
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl (NE)-N-(aminomethylidene)carbamate
CID 10139513
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl N-(diaminomethylidene)carbamate
CID 10140408
[6-(N-carbamoyl-2,6-difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methyl (NE)-N-[1-(dimethylamino)ethylidene]carbamate
CID 10228945
1-(2,6-Difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
CID 20596507
1-(2,6-Difluorophenyl)-1-[6-(2,4-dimethylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
CID 20596509
1-(2,6-Difluorophenyl)-1-[6-(2-fluoro-4-methylphenyl)-5-(hydroxymethyl)-2-pyridinyl]urea
CID 20596510
1-[6-(2,4-Difluorocyclohexa-2,4-dien-1-yl)-5-(2-hydroxyethyl)-2-pyridinyl]-1-(2,6-difluorophenyl)urea
CID 20596513
[6-(2,6-Difluoroanilino)-2-(2,4-difluorophenyl)-3-pyridinyl]methanol
CID 20596521

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea (CID 20596506) is 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea is NC(=O)N(c1ccc(CCO)c(-c2ccc(F)cc2F)n1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea?
The InChIKey is LFVCKNIJBFVYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-12-5-6-13(16(24)10-12)18-11(8-9-28)4-7-17(26-18)27(20(25)29)19-14(22)2-1-3-15(19)23/h1-7,10,28H,8-9H2,(H2,25,29).
What are the key properties of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-(2-hydroxyethyl)-2-pyridinyl]urea has a molecular weight of 405.35 g/mol, XLogP of 4.06, 5 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-(2-hydroxyethyl)-2-pyridinyl]urea is sourced from PubChem (CID 20596506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).