1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide

C18H18Cl2N2O2 — CID 109051226

IUPAC1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-9-21-17(23)12-5-4-6-13(10-12)18(24)22-16-11-14(19)7-8-15(16)20/h4-8,10-11H,2-3,9H2,1H3,(H,21,23)(H,22,24)
InChIKeySQRDRPKGUGZCKP-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.78
Rot. Bonds6

About 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide

1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109051226) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
PubChem CID109051226
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-2-3-9-21-17(23)12-5-4-6-13(10-12)18(24)22-16-11-14(19)7-8-15(16)20/h4-8,10-11H,2-3,9H2,1H3,(H,21,23)(H,22,24)
InChIKeySQRDRPKGUGZCKP-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

1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109056346
1-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043789

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide (CID 109051226) is 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is SQRDRPKGUGZCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-2-3-9-21-17(23)12-5-4-6-13(10-12)18(24)22-16-11-14(19)7-8-15(16)20/h4-8,10-11H,2-3,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide?
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-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-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).