3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide

C20H22Cl3NO3 — CID 18848495

IUPAC3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C20H22Cl3NO3/c1-3-4-5-6-9-27-19-15(22)10-13(11-16(19)23)20(25)24-17-12-14(21)7-8-18(17)26-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,25)
InChIKeyLQOXSNZOMJVVGT-UHFFFAOYSA-N
MW430.76 g/mol
LogP6.87
Rot. Bonds9

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

3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide (PubChem CID 18848495) has the molecular formula C20H22Cl3NO3 and a molecular weight of 430.76 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
PubChem CID18848495
Molecular FormulaC20H22Cl3NO3
Molecular Weight430.76 g/mol
Exact Mass429.07
IUPAC Name3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C20H22Cl3NO3/c1-3-4-5-6-9-27-19-15(22)10-13(11-16(19)23)20(25)24-17-12-14(21)7-8-18(17)26-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,25)
InChIKeyLQOXSNZOMJVVGT-UHFFFAOYSA-N
XLogP6.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hexoxybenzamide
CID 18848493
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127
N-(5-chloro-2-methoxyphenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733029
N-(3-acetamido-4-methoxyphenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 33309669
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide (CID 18848495) is 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide is CCCCCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2OC)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide?
The InChIKey is LQOXSNZOMJVVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3NO3/c1-3-4-5-6-9-27-19-15(22)10-13(11-16(19)23)20(25)24-17-12-14(21)7-8-18(17)26-2/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,25).
What are the key properties of 3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide?
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide has a molecular weight of 430.76 g/mol, XLogP of 6.87, 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-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide is sourced from PubChem (CID 18848495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).