3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide

C21H25Cl2NO4 — CID 18848493

IUPAC3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl
InChIInChI=1S/C21H25Cl2NO4/c1-4-5-6-7-10-28-20-16(22)11-14(12-17(20)23)21(25)24-18-13-15(26-2)8-9-19(18)27-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,24,25)
InChIKeyFUSXORABUFEAMK-UHFFFAOYSA-N
MW426.34 g/mol
LogP6.22
Rot. Bonds10

About 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide

3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide (PubChem CID 18848493) has the molecular formula C21H25Cl2NO4 and a molecular weight of 426.34 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
PubChem CID18848493
Molecular FormulaC21H25Cl2NO4
Molecular Weight426.34 g/mol
Exact Mass425.12
IUPAC Name3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl
InChIInChI=1S/C21H25Cl2NO4/c1-4-5-6-7-10-28-20-16(22)11-14(12-17(20)23)21(25)24-18-13-15(26-2)8-9-19(18)27-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,24,25)
InChIKeyFUSXORABUFEAMK-UHFFFAOYSA-N
XLogP6.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
CID 18848495
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
(4-methoxyphenyl) 3,5-dichloro-4-pentoxybenzoate
CID 18848445
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide
CID 19813861
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide (CID 18848493) is 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide is CCCCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide?
The InChIKey is FUSXORABUFEAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2NO4/c1-4-5-6-7-10-28-20-16(22)11-14(12-17(20)23)21(25)24-18-13-15(26-2)8-9-19(18)27-3/h8-9,11-13H,4-7,10H2,1-3H3,(H,24,25).
What are the key properties of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide?
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide has a molecular weight of 426.34 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide is sourced from PubChem (CID 18848493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).