4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide

C18H19Cl2NO3 — CID 26115429

IUPAC4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-3-4-9-24-16-8-5-12(10-17(16)23-2)18(22)21-15-7-6-13(19)11-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyHUVXDEZFCOHKSH-UHFFFAOYSA-N
MW368.26 g/mol
LogP5.43
Rot. Bonds7

About 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide

4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide (PubChem CID 26115429) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
PubChem CID26115429
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-3-4-9-24-16-8-5-12(10-17(16)23-2)18(22)21-15-7-6-13(19)11-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyHUVXDEZFCOHKSH-UHFFFAOYSA-N
XLogP5.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.26
LogP ≤ 55.43
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-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
CID 4959418
4-butoxy-N-(2-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 26522911
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
CID 18848495
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
4-butoxy-N-(3-fluoro-4-methylphenyl)-3-methoxybenzamide
CID 9216174

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide (CID 26115429) is 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide is CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide?
The InChIKey is HUVXDEZFCOHKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-3-4-9-24-16-8-5-12(10-17(16)23-2)18(22)21-15-7-6-13(19)11-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide?
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide has a molecular weight of 368.26 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide is sourced from PubChem (CID 26115429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).