N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

C21H24ClN3O2 — CID 3220856

IUPACN-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15-6-2-3-7-17(15)21(27)23-16-10-12-25(13-11-16)14-20(26)24-19-9-5-4-8-18(19)22/h2-9,16H,10-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyITKWBVFLNHXOEQ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.48
Rot. Bonds5

About N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 3220856) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID3220856
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15-6-2-3-7-17(15)21(27)23-16-10-12-25(13-11-16)14-20(26)24-19-9-5-4-8-18(19)22/h2-9,16H,10-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyITKWBVFLNHXOEQ-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide (CID 3220856) is N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is ITKWBVFLNHXOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15-6-2-3-7-17(15)21(27)23-16-10-12-25(13-11-16)14-20(26)24-19-9-5-4-8-18(19)22/h2-9,16H,10-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 385.90 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloroanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 3220856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).