3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide

C27H34Cl2N2O4 — CID 11260937

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H34Cl2N2O4/c1-33-25-5-3-21(16-26(25)35-15-8-20-2-4-22(28)17-24(20)29)27(32)30-18-19-6-11-31(12-7-19)23-9-13-34-14-10-23/h2-5,16-17,19,23H,6-15,18H2,1H3,(H,30,32)
InChIKeyKGSVUDYRNDYYMD-UHFFFAOYSA-N
MW521.49 g/mol
LogP5.24
Rot. Bonds9

About 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 11260937) has the molecular formula C27H34Cl2N2O4 and a molecular weight of 521.49 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide
PubChem CID11260937
Molecular FormulaC27H34Cl2N2O4
Molecular Weight521.49 g/mol
Exact Mass520.19
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C27H34Cl2N2O4/c1-33-25-5-3-21(16-26(25)35-15-8-20-2-4-22(28)17-24(20)29)27(32)30-18-19-6-11-31(12-7-19)23-9-13-34-14-10-23/h2-5,16-17,19,23H,6-15,18H2,1H3,(H,30,32)
InChIKeyKGSVUDYRNDYYMD-UHFFFAOYSA-N
XLogP5.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-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 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide (CID 11260937) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide is COc1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is KGSVUDYRNDYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl2N2O4/c1-33-25-5-3-21(16-26(25)35-15-8-20-2-4-22(28)17-24(20)29)27(32)30-18-19-6-11-31(12-7-19)23-9-13-34-14-10-23/h2-5,16-17,19,23H,6-15,18H2,1H3,(H,30,32).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 521.49 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 11260937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).