2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide

C22H24Cl2N2O3 — CID 108554594

IUPAC2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1cccc(OCC(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)c1C
InChIInChI=1S/C22H24Cl2N2O3/c1-14-4-3-5-20(15(14)2)29-13-21(27)26-10-8-17(9-11-26)25-22(28)18-12-16(23)6-7-19(18)24/h3-7,12,17H,8-11,13H2,1-2H3,(H,25,28)
InChIKeyJTLSJPDDCGXJRX-UHFFFAOYSA-N
MW435.35 g/mol
LogP4.41
Rot. Bonds5

About 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide

2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide (PubChem CID 108554594) has the molecular formula C22H24Cl2N2O3 and a molecular weight of 435.35 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
PubChem CID108554594
Molecular FormulaC22H24Cl2N2O3
Molecular Weight435.35 g/mol
Exact Mass434.12
IUPAC Name2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
SMILESCc1cccc(OCC(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)c1C
InChIInChI=1S/C22H24Cl2N2O3/c1-14-4-3-5-20(15(14)2)29-13-21(27)26-10-8-17(9-11-26)25-22(28)18-12-16(23)6-7-19(18)24/h3-7,12,17H,8-11,13H2,1-2H3,(H,25,28)
InChIKeyJTLSJPDDCGXJRX-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551499
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557840
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
CID 108551390
2-(3-chloro-2-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119563520
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide (CID 108554594) is 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide is Cc1cccc(OCC(=O)N2CCC(NC(=O)c3cc(Cl)ccc3Cl)CC2)c1C.
What is the InChIKey of 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
The InChIKey is JTLSJPDDCGXJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O3/c1-14-4-3-5-20(15(14)2)29-13-21(27)26-10-8-17(9-11-26)25-22(28)18-12-16(23)6-7-19(18)24/h3-7,12,17H,8-11,13H2,1-2H3,(H,25,28).
What are the key properties of 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide has a molecular weight of 435.35 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108554594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).