2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide

C19H20Cl2N2O — CID 59438510

IUPAC2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(Cl)cc2Cl)(c2ccccc2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-23-11-5-10-19(13-23,14-6-3-2-4-7-14)22-18(24)16-9-8-15(20)12-17(16)21/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,24)
InChIKeyOFBDCHBDDZEHBY-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.34
Rot. Bonds3

About 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide

2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide (PubChem CID 59438510) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide
PubChem CID59438510
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(Cl)cc2Cl)(c2ccccc2)C1
InChIInChI=1S/C19H20Cl2N2O/c1-23-11-5-10-19(13-23,14-6-3-2-4-7-14)22-18(24)16-9-8-15(20)12-17(16)21/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,24)
InChIKeyOFBDCHBDDZEHBY-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.34
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-(1-methyl-3-phenylpiperidin-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide (CID 59438510) is 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2ccc(Cl)cc2Cl)(c2ccccc2)C1.
What is the InChIKey of 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide?
The InChIKey is OFBDCHBDDZEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-23-11-5-10-19(13-23,14-6-3-2-4-7-14)22-18(24)16-9-8-15(20)12-17(16)21/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,24).
What are the key properties of 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide?
2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide has a molecular weight of 363.29 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide is sourced from PubChem (CID 59438510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).