4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

C26H28Cl2N4O2 — CID 22052320

IUPAC4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33)
InChIKeyUSTDQHUKYVFTSB-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.24
Rot. Bonds8

About 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide

4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 22052320) has the molecular formula C26H28Cl2N4O2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
PubChem CID22052320
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.44 g/mol
Exact Mass498.16
IUPAC Name4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33)
InChIKeyUSTDQHUKYVFTSB-UHFFFAOYSA-N
XLogP5.24
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide (CID 22052320) is 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is Nc1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is USTDQHUKYVFTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17,29H2,(H,31,33).
What are the key properties of 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide?
4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 499.44 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 22052320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).