1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one

C19H18Cl2F2N2O — CID 10150750

IUPAC1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESCNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1
InChIInChI=1S/C19H18Cl2F2N2O/c1-24-14-8-15(20)19(16(21)9-14)25-10-11(2-5-18(25)26)6-12-3-4-13(22)7-17(12)23/h3-4,7-9,11,24H,2,5-6,10H2,1H3
InChIKeyRKJGKIZWTGRBKA-UHFFFAOYSA-N
MW399.27 g/mol
LogP5.30
Rot. Bonds4

About 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one

1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (PubChem CID 10150750) has the molecular formula C19H18Cl2F2N2O and a molecular weight of 399.27 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
PubChem CID10150750
Molecular FormulaC19H18Cl2F2N2O
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one
SMILESCNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1
InChIInChI=1S/C19H18Cl2F2N2O/c1-24-14-8-15(20)19(16(21)9-14)25-10-11(2-5-18(25)26)6-12-3-4-13(22)7-17(12)23/h3-4,7-9,11,24H,2,5-6,10H2,1H3
InChIKeyRKJGKIZWTGRBKA-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.27
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one (CID 10150750) is 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is CNc1cc(Cl)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(Cl)c1.
What is the InChIKey of 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
The InChIKey is RKJGKIZWTGRBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O/c1-24-14-8-15(20)19(16(21)9-14)25-10-11(2-5-18(25)26)6-12-3-4-13(22)7-17(12)23/h3-4,7-9,11,24H,2,5-6,10H2,1H3.
What are the key properties of 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one?
1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one has a molecular weight of 399.27 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(methylamino)phenyl]-5-[(2,4-difluorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 10150750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).