2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C25H24Cl2N2O2 — CID 118063240

IUPAC2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)cc2)CC1
InChIInChI=1S/C25H24Cl2N2O2/c1-29-14-12-22(13-15-29)31-21-9-4-18(5-10-21)17-2-7-20(8-3-17)28-25(30)23-11-6-19(26)16-24(23)27/h2-11,16,22H,12-15H2,1H3,(H,28,30)
InChIKeyKXGGTZSXWQSSQL-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.39
Rot. Bonds5

About 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063240) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063240
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Name2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)cc2)CC1
InChIInChI=1S/C25H24Cl2N2O2/c1-29-14-12-22(13-15-29)31-21-9-4-18(5-10-21)17-2-7-20(8-3-17)28-25(30)23-11-6-19(26)16-24(23)27/h2-11,16,22H,12-15H2,1H3,(H,28,30)
InChIKeyKXGGTZSXWQSSQL-UHFFFAOYSA-N
XLogP6.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063240) is 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)cc2)CC1.
What is the InChIKey of 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is KXGGTZSXWQSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-29-14-12-22(13-15-29)31-21-9-4-18(5-10-21)17-2-7-20(8-3-17)28-25(30)23-11-6-19(26)16-24(23)27/h2-11,16,22H,12-15H2,1H3,(H,28,30).
What are the key properties of 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 455.39 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).