1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide

C18H18Cl2N2O2 — CID 109043816

IUPAC1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-10-21-17(23)12-4-6-13(7-5-12)18(24)22-16-9-8-14(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyXBYWEPFAAFZVRA-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.78
Rot. Bonds6

About 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide

1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109043816) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
PubChem CID109043816
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-10-21-17(23)12-4-6-13(7-5-12)18(24)22-16-9-8-14(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyXBYWEPFAAFZVRA-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
2-N-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
1-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043789
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide (CID 109043816) is 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is XBYWEPFAAFZVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-2-3-10-21-17(23)12-4-6-13(7-5-12)18(24)22-16-9-8-14(19)11-15(16)20/h4-9,11H,2-3,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide?
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).