4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide

C16H22Br2N2O2 — CID 57338151

IUPAC4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCCC)c(Br)cc1Br
InChIInChI=1S/C16H22Br2N2O2/c1-3-5-7-19-15(21)11-9-12(14(18)10-13(11)17)16(22)20-8-6-4-2/h9-10H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGETADVUWUDHUDE-UHFFFAOYSA-N
MW434.17 g/mol
LogP4.27
Rot. Bonds8

About 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide

4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide (PubChem CID 57338151) has the molecular formula C16H22Br2N2O2 and a molecular weight of 434.17 g/mol. Its IUPAC name is 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
PubChem CID57338151
Molecular FormulaC16H22Br2N2O2
Molecular Weight434.17 g/mol
Exact Mass432.00
IUPAC Name4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCCC)c(Br)cc1Br
InChIInChI=1S/C16H22Br2N2O2/c1-3-5-7-19-15(21)11-9-12(14(18)10-13(11)17)16(22)20-8-6-4-2/h9-10H,3-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyGETADVUWUDHUDE-UHFFFAOYSA-N
XLogP4.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.17
LogP ≤ 54.27
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

3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
2-bromo-5-nitro-N-octylbenzamide
CID 115567380
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
The IUPAC name of 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide (CID 57338151) is 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
The canonical SMILES for 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide is CCCCNC(=O)c1cc(C(=O)NCCCC)c(Br)cc1Br.
What is the InChIKey of 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
The InChIKey is GETADVUWUDHUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2O2/c1-3-5-7-19-15(21)11-9-12(14(18)10-13(11)17)16(22)20-8-6-4-2/h9-10H,3-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide?
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide has a molecular weight of 434.17 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 57338151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).