4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide

C20H7Br9N2O2 — CID 101287009

IUPAC4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c(Br)c1Br
InChIInChI=1S/C20H7Br9N2O2/c21-6-1-10(23)17(11(24)2-6)30-19(32)8-5-9(15(28)16(29)14(8)27)20(33)31-18-12(25)3-7(22)4-13(18)26/h1-5H,(H,30,32)(H,31,33)
InChIKeyBYQJWTWYJYLAGB-UHFFFAOYSA-N
MW1026.42 g/mol
LogP11.05
Rot. Bonds4

About 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide

4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide (PubChem CID 101287009) has the molecular formula C20H7Br9N2O2 and a molecular weight of 1026.42 g/mol. Its IUPAC name is 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
PubChem CID101287009
Molecular FormulaC20H7Br9N2O2
Molecular Weight1026.42 g/mol
Exact Mass1017.32
IUPAC Name4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c(Br)c1Br
InChIInChI=1S/C20H7Br9N2O2/c21-6-1-10(23)17(11(24)2-6)30-19(32)8-5-9(15(28)16(29)14(8)27)20(33)31-18-12(25)3-7(22)4-13(18)26/h1-5H,(H,30,32)(H,31,33)
InChIKeyBYQJWTWYJYLAGB-UHFFFAOYSA-N
XLogP11.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.42
LogP ≤ 511.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
CID 114343907
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 62509199
2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294
(2,4,6-tribromophenyl)urea
CID 28991940
2,3,5,6-tetrafluoro-4-[(2,3,5-tribromobenzoyl)amino]benzoic acid
CID 162705163
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551

Frequently Asked Questions

What is the IUPAC name of 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide (CID 101287009) is 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide is O=C(Nc1c(Br)cc(Br)cc1Br)c1cc(C(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c(Br)c1Br.
What is the InChIKey of 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide?
The InChIKey is BYQJWTWYJYLAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H7Br9N2O2/c21-6-1-10(23)17(11(24)2-6)30-19(32)8-5-9(15(28)16(29)14(8)27)20(33)31-18-12(25)3-7(22)4-13(18)26/h1-5H,(H,30,32)(H,31,33).
What are the key properties of 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide?
4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide has a molecular weight of 1026.42 g/mol, XLogP of 11.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 101287009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).