3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

C15H13IN2O4 — CID 5186267

IUPAC3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1I
InChIInChI=1S/C15H13IN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)10-6-7-14(22-2)11(16)8-10/h3-8H,1-2H3,(H,17,19)
InChIKeyYVKFDPIXWXVECT-UHFFFAOYSA-N
MW412.18 g/mol
LogP3.77
Rot. Bonds4

About 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide

3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 5186267) has the molecular formula C15H13IN2O4 and a molecular weight of 412.18 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID5186267
Molecular FormulaC15H13IN2O4
Molecular Weight412.18 g/mol
Exact Mass411.99
IUPAC Name3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1I
InChIInChI=1S/C15H13IN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)10-6-7-14(22-2)11(16)8-10/h3-8H,1-2H3,(H,17,19)
InChIKeyYVKFDPIXWXVECT-UHFFFAOYSA-N
XLogP3.77
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.18
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

4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
3-bromo-4-methoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 3261815
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
3-bromo-N-(2-methyl-3-nitrophenyl)-4-propoxybenzamide
CID 17342695
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
1-N,3-N-bis(2-fluoro-3-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157410
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
CID 17142403
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763240

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (CID 5186267) is 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is YVKFDPIXWXVECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)10-6-7-14(22-2)11(16)8-10/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 412.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 5186267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).