N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide

C25H22Cl2F2N2O2 — CID 137473291

IUPACN-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESO=C(Nc1cc(OCC2CCN(c3c(F)cc(Cl)cc3F)CC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C25H22Cl2F2N2O2/c26-18-12-21(28)24(22(29)13-18)31-10-8-16(9-11-31)15-33-19-6-7-20(27)23(14-19)30-25(32)17-4-2-1-3-5-17/h1-7,12-14,16H,8-11,15H2,(H,30,32)
InChIKeyOMXKTZBLYTUVML-UHFFFAOYSA-N
MW491.37 g/mol
LogP6.82
Rot. Bonds6

About N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide

N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide (PubChem CID 137473291) has the molecular formula C25H22Cl2F2N2O2 and a molecular weight of 491.37 g/mol. Its IUPAC name is N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide
PubChem CID137473291
Molecular FormulaC25H22Cl2F2N2O2
Molecular Weight491.37 g/mol
Exact Mass490.10
IUPAC NameN-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide
SMILESO=C(Nc1cc(OCC2CCN(c3c(F)cc(Cl)cc3F)CC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C25H22Cl2F2N2O2/c26-18-12-21(28)24(22(29)13-18)31-10-8-16(9-11-31)15-33-19-6-7-20(27)23(14-19)30-25(32)17-4-2-1-3-5-17/h1-7,12-14,16H,8-11,15H2,(H,30,32)
InChIKeyOMXKTZBLYTUVML-UHFFFAOYSA-N
XLogP6.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.37
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The IUPAC name of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide (CID 137473291) is N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The canonical SMILES for N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide is O=C(Nc1cc(OCC2CCN(c3c(F)cc(Cl)cc3F)CC2)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
The InChIKey is OMXKTZBLYTUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F2N2O2/c26-18-12-21(28)24(22(29)13-18)31-10-8-16(9-11-31)15-33-19-6-7-20(27)23(14-19)30-25(32)17-4-2-1-3-5-17/h1-7,12-14,16H,8-11,15H2,(H,30,32).
What are the key properties of N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide?
N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide has a molecular weight of 491.37 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 137473291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).