2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide

C22H26Cl2N2O — CID 70269882

IUPAC2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide
SMILESCC1CCC(C)([C@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)N(C)C1
InChIInChI=1S/C22H26Cl2N2O/c1-15-11-12-22(2,26(3)14-15)20(16-7-5-4-6-8-16)25-21(27)18-10-9-17(23)13-19(18)24/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,25,27)/t15?,20-,22?/m1/s1
InChIKeyGHXUIAOAIDWHNS-YOMPXFNTSA-N
MW405.37 g/mol
LogP5.58
Rot. Bonds4

About 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide

2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide (PubChem CID 70269882) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide
PubChem CID70269882
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide
SMILESCC1CCC(C)([C@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)N(C)C1
InChIInChI=1S/C22H26Cl2N2O/c1-15-11-12-22(2,26(3)14-15)20(16-7-5-4-6-8-16)25-21(27)18-10-9-17(23)13-19(18)24/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,25,27)/t15?,20-,22?/m1/s1
InChIKeyGHXUIAOAIDWHNS-YOMPXFNTSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide (CID 70269882) is 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide is CC1CCC(C)([C@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)N(C)C1.
What is the InChIKey of 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide?
The InChIKey is GHXUIAOAIDWHNS-YOMPXFNTSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c1-15-11-12-22(2,26(3)14-15)20(16-7-5-4-6-8-16)25-21(27)18-10-9-17(23)13-19(18)24/h4-10,13,15,20H,11-12,14H2,1-3H3,(H,25,27)/t15?,20-,22?/m1/s1.
What are the key properties of 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide?
2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide has a molecular weight of 405.37 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(R)-phenyl-(1,2,5-trimethylpiperidin-2-yl)methyl]benzamide is sourced from PubChem (CID 70269882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).