2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

C15H14IN3O3 — CID 78874217

IUPAC2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)n1
InChIInChI=1S/C15H14IN3O3/c1-8-6-9(2)17-10(3)14(8)18-15(20)12-7-11(19(21)22)4-5-13(12)16/h4-7H,1-3H3,(H,18,20)
InChIKeyVIRIJBIQFCCCNJ-UHFFFAOYSA-N
MW411.20 g/mol
LogP3.77
Rot. Bonds3

About 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (PubChem CID 78874217) has the molecular formula C15H14IN3O3 and a molecular weight of 411.20 g/mol. Its IUPAC name is 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
PubChem CID78874217
Molecular FormulaC15H14IN3O3
Molecular Weight411.20 g/mol
Exact Mass411.01
IUPAC Name2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)n1
InChIInChI=1S/C15H14IN3O3/c1-8-6-9(2)17-10(3)14(8)18-15(20)12-7-11(19(21)22)4-5-13(12)16/h4-7H,1-3H3,(H,18,20)
InChIKeyVIRIJBIQFCCCNJ-UHFFFAOYSA-N
XLogP3.77
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-iodo-5-nitrobenzamide
CID 66255521
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-iodo-5-nitrobenzamide
CID 65486427
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
N-(2-chloropyrimidin-4-yl)-2-iodo-5-nitrobenzamide
CID 116794901
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
CID 43377432
5-methyl-4-nitro-N-(2,4,6-trimethyl-3-pyridinyl)thiophene-2-carboxamide
CID 78859558
2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
CID 114912062
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The IUPAC name of 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (CID 78874217) is 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The canonical SMILES for 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])ccc2I)c(C)n1.
What is the InChIKey of 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The InChIKey is VIRIJBIQFCCCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O3/c1-8-6-9(2)17-10(3)14(8)18-15(20)12-7-11(19(21)22)4-5-13(12)16/h4-7H,1-3H3,(H,18,20).
What are the key properties of 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide has a molecular weight of 411.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is sourced from PubChem (CID 78874217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).