3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide

C20H22Cl3NO2 — CID 18848534

IUPAC3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C20H22Cl3NO2/c1-2-3-4-5-6-11-26-19-17(22)12-14(13-18(19)23)20(25)24-16-9-7-15(21)8-10-16/h7-10,12-13H,2-6,11H2,1H3,(H,24,25)
InChIKeyWYBFJFBIZHIEQI-UHFFFAOYSA-N
MW414.76 g/mol
LogP7.25
Rot. Bonds9

About 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide

3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide (PubChem CID 18848534) has the molecular formula C20H22Cl3NO2 and a molecular weight of 414.76 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
PubChem CID18848534
Molecular FormulaC20H22Cl3NO2
Molecular Weight414.76 g/mol
Exact Mass413.07
IUPAC Name3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C20H22Cl3NO2/c1-2-3-4-5-6-11-26-19-17(22)12-14(13-18(19)23)20(25)24-16-9-7-15(21)8-10-16/h7-10,12-13H,2-6,11H2,1H3,(H,24,25)
InChIKeyWYBFJFBIZHIEQI-UHFFFAOYSA-N
XLogP7.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
3,5-dichloro-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18848899
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
CID 18848495
3,5-dichloro-4-heptoxy-N-(3-nitrophenyl)benzamide
CID 18848538
3,5-dichloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-pentoxybenzamide
CID 18848821
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide (CID 18848534) is 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide is CCCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide?
The InChIKey is WYBFJFBIZHIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3NO2/c1-2-3-4-5-6-11-26-19-17(22)12-14(13-18(19)23)20(25)24-16-9-7-15(21)8-10-16/h7-10,12-13H,2-6,11H2,1H3,(H,24,25).
What are the key properties of 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide?
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide has a molecular weight of 414.76 g/mol, XLogP of 7.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide is sourced from PubChem (CID 18848534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).