1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea

C19H19ClF3N3O — CID 2810578

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H19ClF3N3O/c20-15-2-1-3-16(22)14(15)11-26-8-6-13(7-9-26)24-19(27)25-18-5-4-12(21)10-17(18)23/h1-5,10,13H,6-9,11H2,(H2,24,25,27)
InChIKeyDCIKWGFKAZRTGB-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.54
Rot. Bonds4

About 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea

1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 2810578) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea
PubChem CID2810578
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C19H19ClF3N3O/c20-15-2-1-3-16(22)14(15)11-26-8-6-13(7-9-26)24-19(27)25-18-5-4-12(21)10-17(18)23/h1-5,10,13H,6-9,11H2,(H2,24,25,27)
InChIKeyDCIKWGFKAZRTGB-UHFFFAOYSA-N
XLogP4.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea (CID 2810578) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)NC1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is DCIKWGFKAZRTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c20-15-2-1-3-16(22)14(15)11-26-8-6-13(7-9-26)24-19(27)25-18-5-4-12(21)10-17(18)23/h1-5,10,13H,6-9,11H2,(H2,24,25,27).
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea?
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 397.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 2810578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).