3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

C25H24Cl2N2O2 — CID 118063152

IUPAC3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)cc2)CC1
InChIInChI=1S/C25H24Cl2N2O2/c1-29-12-10-24(11-13-29)31-23-8-4-18(5-9-23)17-2-6-22(7-3-17)28-25(30)19-14-20(26)16-21(27)15-19/h2-9,14-16,24H,10-13H2,1H3,(H,28,30)
InChIKeyAGPNYSZEGVYSJD-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.39
Rot. Bonds5

About 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide

3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063152) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063152
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Name3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)cc2)CC1
InChIInChI=1S/C25H24Cl2N2O2/c1-29-12-10-24(11-13-29)31-23-8-4-18(5-9-23)17-2-6-22(7-3-17)28-25(30)19-14-20(26)16-21(27)15-19/h2-9,14-16,24H,10-13H2,1H3,(H,28,30)
InChIKeyAGPNYSZEGVYSJD-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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Related Compounds

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-phenylpiperidin-4-yl)methyl]benzamide
CID 11260802
N-[2-(3-chlorobenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methoxybenzamide
CID 145974588
3-chloro-N-[2-(2-methoxybenzoyl)-3-oxo-1,4-dihydroisoquinolin-7-yl]benzamide
CID 145975862
5-chloro-2-methoxy-N-[4-(1-piperidinylmethyl)phenyl]benzamide
CID 2196445
4-[(4-chlorobenzoyl)amino]-N-[4-[4-(2-ethoxy-4-propan-2-ylphenyl)piperidin-1-yl]butyl]benzamide
CID 10144749
2-(4'-Chloro-biphenyl-4-yloxy)-n-(4-piperidin-1-ylmethyl-phenyl)-acetamide
CID 59691704
3-(benzyloxy)-5-chloro-N-(4-(piperidin-1-ylmethyl)phenyl)benzamide
CID 72710606
3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063089
4-chloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063107
4-methyl-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063109
4-bromo-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063178
4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063180

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063152) is 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)cc2)CC1.
What is the InChIKey of 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is AGPNYSZEGVYSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O2/c1-29-12-10-24(11-13-29)31-23-8-4-18(5-9-23)17-2-6-22(7-3-17)28-25(30)19-14-20(26)16-21(27)15-19/h2-9,14-16,24H,10-13H2,1H3,(H,28,30).
What are the key properties of 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
3,5-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 3,5-dichloro-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).