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

C20H15F4N3O — CID 21061445

IUPAC1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea
SMILESCCc1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C20H15F4N3O/c1-2-11-6-9-17(26-18(11)13-8-7-12(21)10-16(13)24)27(20(25)28)19-14(22)4-3-5-15(19)23/h3-10H,2H2,1H3,(H2,25,28)
InChIKeyPBAQZOOHETWZKH-UHFFFAOYSA-N
MW389.35 g/mol
LogP5.08
Rot. Bonds4

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

1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea (PubChem CID 21061445) has the molecular formula C20H15F4N3O and a molecular weight of 389.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea
PubChem CID21061445
Molecular FormulaC20H15F4N3O
Molecular Weight389.35 g/mol
Exact Mass389.12
IUPAC Name1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea
SMILESCCc1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C20H15F4N3O/c1-2-11-6-9-17(26-18(11)13-8-7-12(21)10-16(13)24)27(20(25)28)19-14(22)4-3-5-15(19)23/h3-10H,2H2,1H3,(H2,25,28)
InChIKeyPBAQZOOHETWZKH-UHFFFAOYSA-N
XLogP5.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vx-702
CID 10341154
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
CID 11150373
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
7-amino-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2(1H)-one
CID 44418522
1-(4-Fluorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 310683
Urea, N-phenyl-N'-2-quinolinyl-
CID 2812761
5-(2,4-Difluorophenyl)-1-(2,6-difluorophenyl)-7-(methylamino)-1,6-naphthyridin-2-one
CID 44418529
1-(4-Fluorophenyl)-3-quinolin-2-ylurea
CID 2812959
N-(4-methylphenyl)-N'-(6-methylpyridin-2-yl)urea
CID 3966223
(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
1-(2,4-Dimethylphenyl)-3-(6-methylpyridin-2-yl)urea
CID 6467580

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea (CID 21061445) is 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea is CCc1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea?
The InChIKey is PBAQZOOHETWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O/c1-2-11-6-9-17(26-18(11)13-8-7-12(21)10-16(13)24)27(20(25)28)19-14(22)4-3-5-15(19)23/h3-10H,2H2,1H3,(H2,25,28).
What are the key properties of 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea?
1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea has a molecular weight of 389.35 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-[6-(2,4-difluorophenyl)-5-ethyl-2-pyridinyl]urea is sourced from PubChem (CID 21061445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).