1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide

C18H19ClN2O2 — CID 109051163

IUPAC1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-2-3-11-20-17(22)13-7-6-8-14(12-13)18(23)21-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyMVUQPCUGNZNTFJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.12
Rot. Bonds6

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

1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109051163) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
PubChem CID109051163
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-2-3-11-20-17(22)13-7-6-8-14(12-13)18(23)21-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyMVUQPCUGNZNTFJ-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.12
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-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
hexyl 3-[(2-chlorophenyl)carbamoyl]benzoate
CID 91737156
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
3-N-(2-cyanophenyl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056342
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide (CID 109051163) is 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is MVUQPCUGNZNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-3-11-20-17(22)13-7-6-8-14(12-13)18(23)21-16-10-5-4-9-15(16)19/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide?
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 330.82 g/mol, XLogP of 4.12, 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-chlorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).