1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide

C24H31BrN2O2 — CID 2836828

IUPAC1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O2/c1-3-5-9-17-27(18-10-6-4-2)24(29)22-12-8-7-11-21(22)23(28)26-20-15-13-19(25)14-16-20/h7-8,11-16H,3-6,9-10,17-18H2,1-2H3,(H,26,28)
InChIKeyOITHNNNIGWHOAY-UHFFFAOYSA-N
MW459.43 g/mol
LogP6.52
Rot. Bonds11

About 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide

1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide (PubChem CID 2836828) has the molecular formula C24H31BrN2O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
PubChem CID2836828
Molecular FormulaC24H31BrN2O2
Molecular Weight459.43 g/mol
Exact Mass458.16
IUPAC Name1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
SMILESCCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C24H31BrN2O2/c1-3-5-9-17-27(18-10-6-4-2)24(29)22-12-8-7-11-21(22)23(28)26-20-15-13-19(25)14-16-20/h7-8,11-16H,3-6,9-10,17-18H2,1-2H3,(H,26,28)
InChIKeyOITHNNNIGWHOAY-UHFFFAOYSA-N
XLogP6.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide (CID 2836828) is 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide is CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
The InChIKey is OITHNNNIGWHOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O2/c1-3-5-9-17-27(18-10-6-4-2)24(29)22-12-8-7-11-21(22)23(28)26-20-15-13-19(25)14-16-20/h7-8,11-16H,3-6,9-10,17-18H2,1-2H3,(H,26,28).
What are the key properties of 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide?
1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide has a molecular weight of 459.43 g/mol, XLogP of 6.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromophenyl)-2-N,2-N-dipentylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 2836828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).