4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide

C17H15Cl4NO2 — CID 18848325

IUPAC4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl4NO2/c1-2-3-6-24-16-14(20)7-10(8-15(16)21)17(23)22-11-4-5-12(18)13(19)9-11/h4-5,7-9H,2-3,6H2,1H3,(H,22,23)
InChIKeyGOUOVEREDSFLRX-UHFFFAOYSA-N
MW407.12 g/mol
LogP6.73
Rot. Bonds6

About 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide

4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide (PubChem CID 18848325) has the molecular formula C17H15Cl4NO2 and a molecular weight of 407.12 g/mol. Its IUPAC name is 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
PubChem CID18848325
Molecular FormulaC17H15Cl4NO2
Molecular Weight407.12 g/mol
Exact Mass404.99
IUPAC Name4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H15Cl4NO2/c1-2-3-6-24-16-14(20)7-10(8-15(16)21)17(23)22-11-4-5-12(18)13(19)9-11/h4-5,7-9H,2-3,6H2,1H3,(H,22,23)
InChIKeyGOUOVEREDSFLRX-UHFFFAOYSA-N
XLogP6.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.12
LogP ≤ 56.73
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-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
ethyl 4-[(4-butoxy-3,5-dichlorobenzoyl)amino]benzoate
CID 18848348
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
3,5-dichloro-4-pentoxy-N-(4-sulfamoylphenyl)benzamide
CID 18848400
N-(3-amino-4-methoxyphenyl)-4-butoxy-3-chloro-5-methoxybenzamide;hydrochloride
CID 119420177
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide (CID 18848325) is 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is GOUOVEREDSFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl4NO2/c1-2-3-6-24-16-14(20)7-10(8-15(16)21)17(23)22-11-4-5-12(18)13(19)9-11/h4-5,7-9H,2-3,6H2,1H3,(H,22,23).
What are the key properties of 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide?
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 407.12 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 18848325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).