2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide

C22H24Cl2N2O2 — CID 108566500

IUPAC2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C22H24Cl2N2O2/c1-15-2-4-16(5-3-15)6-9-21(27)26-12-10-18(11-13-26)25-22(28)19-8-7-17(23)14-20(19)24/h2-5,7-8,14,18H,6,9-13H2,1H3,(H,25,28)
InChIKeyDOQXTICKVYTRNW-UHFFFAOYSA-N
MW419.35 g/mol
LogP4.66
Rot. Bonds5

About 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide

2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide (PubChem CID 108566500) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
PubChem CID108566500
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C22H24Cl2N2O2/c1-15-2-4-16(5-3-15)6-9-21(27)26-12-10-18(11-13-26)25-22(28)19-8-7-17(23)14-20(19)24/h2-5,7-8,14,18H,6,9-13H2,1H3,(H,25,28)
InChIKeyDOQXTICKVYTRNW-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
2,4-dichloro-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108567011
2-(4-chlorophenoxy)-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetamide
CID 108554355
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558340
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide (CID 108566500) is 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide is Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is DOQXTICKVYTRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-15-2-4-16(5-3-15)6-9-21(27)26-12-10-18(11-13-26)25-22(28)19-8-7-17(23)14-20(19)24/h2-5,7-8,14,18H,6,9-13H2,1H3,(H,25,28).
What are the key properties of 2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 419.35 g/mol, XLogP of 4.66, 5 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-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108566500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).