3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide

C21H21Cl2N3O3 — CID 108553848

IUPAC3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-13(27)24-17-4-2-3-14(11-17)20(28)25-16-7-9-26(10-8-16)21(29)18-12-15(22)5-6-19(18)23/h2-6,11-12,16H,7-10H2,1H3,(H,24,27)(H,25,28)
InChIKeyNEUNYXUHKYKZDG-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.99
Rot. Bonds4

About 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide

3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide (PubChem CID 108553848) has the molecular formula C21H21Cl2N3O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
PubChem CID108553848
Molecular FormulaC21H21Cl2N3O3
Molecular Weight434.32 g/mol
Exact Mass433.10
IUPAC Name3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C21H21Cl2N3O3/c1-13(27)24-17-4-2-3-14(11-17)20(28)25-16-7-9-26(10-8-16)21(29)18-12-15(22)5-6-19(18)23/h2-6,11-12,16H,7-10H2,1H3,(H,24,27)(H,25,28)
InChIKeyNEUNYXUHKYKZDG-UHFFFAOYSA-N
XLogP3.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide (CID 108553848) is 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide is CC(=O)Nc1cccc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide?
The InChIKey is NEUNYXUHKYKZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3/c1-13(27)24-17-4-2-3-14(11-17)20(28)25-16-7-9-26(10-8-16)21(29)18-12-15(22)5-6-19(18)23/h2-6,11-12,16H,7-10H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide?
3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide has a molecular weight of 434.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108553848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).