3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide

C20H23Cl2NO3 — CID 18848436

IUPAC3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C20H23Cl2NO3/c1-3-4-5-10-26-19-17(21)11-15(12-18(19)22)20(24)23-13-14-6-8-16(25-2)9-7-14/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,23,24)
InChIKeyZTOFMVCKOQJKCB-UHFFFAOYSA-N
MW396.31 g/mol
LogP5.50
Rot. Bonds9

About 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide

3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide (PubChem CID 18848436) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
PubChem CID18848436
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C20H23Cl2NO3/c1-3-4-5-10-26-19-17(21)11-15(12-18(19)22)20(24)23-13-14-6-8-16(25-2)9-7-14/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,23,24)
InChIKeyZTOFMVCKOQJKCB-UHFFFAOYSA-N
XLogP5.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide
CID 18848579
(4-methoxyphenyl) 3,5-dichloro-4-pentoxybenzoate
CID 18848445
3-chloro-4,5-dimethoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55662530
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493
5-chloro-N-[(4-methoxyphenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62172418
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848189
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848866

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide (CID 18848436) is 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide is CCCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide?
The InChIKey is ZTOFMVCKOQJKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-3-4-5-10-26-19-17(21)11-15(12-18(19)22)20(24)23-13-14-6-8-16(25-2)9-7-14/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,23,24).
What are the key properties of 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide?
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide has a molecular weight of 396.31 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide is sourced from PubChem (CID 18848436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).