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

C25H32Cl2N2O3 — CID 11465752

IUPAC3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H32Cl2N2O3/c1-17(2)29-11-8-18(9-12-29)16-28-25(30)20-5-7-23(31-3)24(14-20)32-13-10-19-4-6-21(26)15-22(19)27/h4-7,14-15,17-18H,8-13,16H2,1-3H3,(H,28,30)
InChIKeyKDECAAPOPXMVQG-UHFFFAOYSA-N
MW479.45 g/mol
LogP5.47
Rot. Bonds9

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

3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 11465752) has the molecular formula C25H32Cl2N2O3 and a molecular weight of 479.45 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID11465752
Molecular FormulaC25H32Cl2N2O3
Molecular Weight479.45 g/mol
Exact Mass478.18
IUPAC Name3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H32Cl2N2O3/c1-17(2)29-11-8-18(9-12-29)16-28-25(30)20-5-7-23(31-3)24(14-20)32-13-10-19-4-6-21(26)15-22(19)27/h4-7,14-15,17-18H,8-13,16H2,1-3H3,(H,28,30)
InChIKeyKDECAAPOPXMVQG-UHFFFAOYSA-N
XLogP5.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 10162765
3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(2-hydroxypyridin-4-yl)piperidin-4-yl]methyl}-4-methoxybenzamide
CID 11214717
3-[2-(2,4-dichlorophenyl)ethoxy]-N-[(1-ethanimidoylpiperidin-4-yl)methyl]-4-methylbenzamide
CID 11236581
N-[(1-carbamimidoylpiperidin-4-yl)methyl]-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methylbenzamide
CID 11351714
N-(2,4-dichlorobenzyl)-4-(4-(methylcarbamoyl)phenoxy)piperidine-1-carboxamide
CID 46225163
2-chloro-N-[(3S,4R)-1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
CID 134278801
2-Chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 674895
4-Chloro-N-(3,4-dimethoxyphenethyl)benzamide
CID 300901
(2S)-5-carbamimidamido-2-({3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl}formamido)-N,N-diethylpentanamide
CID 11353394
N-{[1-(4-chlorophenyl)piperidin-4-yl]methyl}-3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 11157065
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[3-(piperidin-1-yl)propyl]benzamide
CID 11213445
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 11214337

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide (CID 11465752) is 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide is COc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1OCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is KDECAAPOPXMVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N2O3/c1-17(2)29-11-8-18(9-12-29)16-28-25(30)20-5-7-23(31-3)24(14-20)32-13-10-19-4-6-21(26)15-22(19)27/h4-7,14-15,17-18H,8-13,16H2,1-3H3,(H,28,30).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 479.45 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 11465752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).