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

C20H23Cl2NO4 — CID 18848417

IUPAC3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl
InChIInChI=1S/C20H23Cl2NO4/c1-4-5-6-9-27-19-15(21)10-13(11-16(19)22)20(24)23-17-12-14(25-2)7-8-18(17)26-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,23,24)
InChIKeyGGHQUKZICADUDH-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.83
Rot. Bonds9

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

3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide (PubChem CID 18848417) has the molecular formula C20H23Cl2NO4 and a molecular weight of 412.31 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
PubChem CID18848417
Molecular FormulaC20H23Cl2NO4
Molecular Weight412.31 g/mol
Exact Mass411.10
IUPAC Name3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl
InChIInChI=1S/C20H23Cl2NO4/c1-4-5-6-9-27-19-15(21)10-13(11-16(19)22)20(24)23-17-12-14(25-2)7-8-18(17)26-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,23,24)
InChIKeyGGHQUKZICADUDH-UHFFFAOYSA-N
XLogP5.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.83
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-hexoxybenzamide
CID 18848493
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
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
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
N-(2-amino-5-methoxyphenyl)-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide
CID 119421506

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide (CID 18848417) is 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide is CCCCCOc1c(Cl)cc(C(=O)Nc2cc(OC)ccc2OC)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide?
The InChIKey is GGHQUKZICADUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO4/c1-4-5-6-9-27-19-15(21)10-13(11-16(19)22)20(24)23-17-12-14(25-2)7-8-18(17)26-3/h7-8,10-12H,4-6,9H2,1-3H3,(H,23,24).
What are the key properties of 3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide?
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide has a molecular weight of 412.31 g/mol, XLogP of 5.83, 9 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-pentoxybenzamide is sourced from PubChem (CID 18848417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).