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

C20H23Cl2NO3 — CID 18848414

IUPAC3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OCC)cc1Cl
InChIInChI=1S/C20H23Cl2NO3/c1-3-5-8-11-26-19-15(21)12-14(13-16(19)22)20(24)23-17-9-6-7-10-18(17)25-4-2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,23,24)
InChIKeyUGGQSIDYKQPPNX-UHFFFAOYSA-N
MW396.31 g/mol
LogP6.21
Rot. Bonds9

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

3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide (PubChem CID 18848414) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
PubChem CID18848414
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OCC)cc1Cl
InChIInChI=1S/C20H23Cl2NO3/c1-3-5-8-11-26-19-15(21)12-14(13-16(19)22)20(24)23-17-9-6-7-10-18(17)25-4-2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,23,24)
InChIKeyUGGQSIDYKQPPNX-UHFFFAOYSA-N
XLogP6.21
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 ≤ 56.21
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-4-hexoxy-N-(2-nitrophenyl)benzamide
CID 18848461
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
CID 18848495
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-pentoxybenzamide
CID 18848417
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3,5-dichloro-N-(2,5-dimethoxyphenyl)-4-hexoxybenzamide
CID 18848493
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(5-acetamido-2-fluorophenyl)-4-butoxy-3-chloro-5-ethoxybenzamide
CID 55551104

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide (CID 18848414) is 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide is CCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OCC)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide?
The InChIKey is UGGQSIDYKQPPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-3-5-8-11-26-19-15(21)12-14(13-16(19)22)20(24)23-17-9-6-7-10-18(17)25-4-2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,23,24).
What are the key properties of 3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide?
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide has a molecular weight of 396.31 g/mol, XLogP of 6.21, 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-(2-ethoxyphenyl)-4-pentoxybenzamide is sourced from PubChem (CID 18848414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).