2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide

C16H12Br3N3O6 — CID 2800369

IUPAC2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C16H12Br3N3O6/c1-27-11-4-3-10(22(25)26)14(28-2)12(11)15(23)21-16(24)20-13-8(18)5-7(17)6-9(13)19/h3-6H,1-2H3,(H2,20,21,23,24)
InChIKeySQRCLEHWKYSXOK-UHFFFAOYSA-N
MW582.00 g/mol
LogP4.86
Rot. Bonds5

About 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide

2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide (PubChem CID 2800369) has the molecular formula C16H12Br3N3O6 and a molecular weight of 582.00 g/mol. Its IUPAC name is 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide
PubChem CID2800369
Molecular FormulaC16H12Br3N3O6
Molecular Weight582.00 g/mol
Exact Mass578.83
IUPAC Name2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C16H12Br3N3O6/c1-27-11-4-3-10(22(25)26)14(28-2)12(11)15(23)21-16(24)20-13-8(18)5-7(17)6-9(13)19/h3-6H,1-2H3,(H2,20,21,23,24)
InChIKeySQRCLEHWKYSXOK-UHFFFAOYSA-N
XLogP4.86
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.00
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethoxy-3-nitro-N-[(2,4,6-trimethylphenyl)carbamoyl]benzamide
CID 2800371
N-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethoxy-3-nitrobenzamide
CID 2800381
3-bromo-N-[(3,5-dichlorophenyl)carbamoyl]-2,6-dimethoxy-5-nitrobenzamide
CID 2800493
3,5-dibromo-2-methoxy-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide
CID 17316980
3-chloro-2,6-dimethoxy-5-nitro-N-[(2,4,6-trifluorophenyl)carbamoyl]benzamide
CID 2800501
methyl 3,5-dibromo-2-[2-(4-methoxy-3-nitrophenyl)propanoylamino]benzoate
CID 68820138
N-(4-bromophenyl)-4,5-dimethoxy-2-nitrobenzamide
CID 1350567
3,5-dibromo-2-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 17341082
4-bromo-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26697659
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide (CID 2800369) is 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide is COc1ccc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide?
The InChIKey is SQRCLEHWKYSXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br3N3O6/c1-27-11-4-3-10(22(25)26)14(28-2)12(11)15(23)21-16(24)20-13-8(18)5-7(17)6-9(13)19/h3-6H,1-2H3,(H2,20,21,23,24).
What are the key properties of 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide?
2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide has a molecular weight of 582.00 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-nitro-N-[(2,4,6-tribromophenyl)carbamoyl]benzamide is sourced from PubChem (CID 2800369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).