1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea

C12H8Cl2FN3O — CID 6469448

IUPAC1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H8Cl2FN3O/c13-7-1-4-11(16-6-7)18-12(19)17-8-2-3-10(15)9(14)5-8/h1-6H,(H2,16,17,18,19)
InChIKeyBEFZNVFOTZTUBB-UHFFFAOYSA-N
MW300.12 g/mol
LogP4.17
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea

1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea (PubChem CID 6469448) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea
PubChem CID6469448
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H8Cl2FN3O/c13-7-1-4-11(16-6-7)18-12(19)17-8-2-3-10(15)9(14)5-8/h1-6H,(H2,16,17,18,19)
InChIKeyBEFZNVFOTZTUBB-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Forchlorfenuron
CID 93379
N-Phenyl-N'-2-pyridinylurea
CID 221427
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
1-(3,4-Dichlorophenyl)-3-(2-pyridyl)urea
CID 786649
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
N2-(4-chlorophenyl)pyridine-2,3-diamine
CID 12445422
1-(2-Chlorophenyl)-3-(pyridin-2-yl)thiourea
CID 972361
1-(4-Chlorophenyl)-3-(pyridin-4-yl)urea
CID 677052
N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
CID 759079
2-Acetamido-5-chloropyridine
CID 798653
VU0463841
CID 73755217
1-(2-Chloropyridin-3-yl)-3-(4-fluorophenyl)urea
CID 727816

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea (CID 6469448) is 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea is O=C(Nc1ccc(F)c(Cl)c1)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea?
The InChIKey is BEFZNVFOTZTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c13-7-1-4-11(16-6-7)18-12(19)17-8-2-3-10(15)9(14)5-8/h1-6H,(H2,16,17,18,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea has a molecular weight of 300.12 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(5-chloro-2-pyridinyl)urea is sourced from PubChem (CID 6469448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).