4-iodo-N-(5-methyl-2-nitrophenyl)benzamide

C14H11IN2O3 — CID 115912666

IUPAC4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H11IN2O3/c1-9-2-7-13(17(19)20)12(8-9)16-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,16,18)
InChIKeyBPWHTDUVLWCABX-UHFFFAOYSA-N
MW382.16 g/mol
LogP3.76
Rot. Bonds3

About 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide

4-iodo-N-(5-methyl-2-nitrophenyl)benzamide (PubChem CID 115912666) has the molecular formula C14H11IN2O3 and a molecular weight of 382.16 g/mol. Its IUPAC name is 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
PubChem CID115912666
Molecular FormulaC14H11IN2O3
Molecular Weight382.16 g/mol
Exact Mass381.98
IUPAC Name4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H11IN2O3/c1-9-2-7-13(17(19)20)12(8-9)16-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,16,18)
InChIKeyBPWHTDUVLWCABX-UHFFFAOYSA-N
XLogP3.76
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
5-bromo-4-methyl-N-(5-methyl-2-nitrophenyl)thiophene-2-carboxamide
CID 115912663
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 102740461
4-bromo-N-[3-[(4-bromobenzoyl)amino]-4-nitrophenyl]benzamide
CID 3458872

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide?
The IUPAC name of 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide (CID 115912666) is 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide.
What is the SMILES notation for 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide?
The canonical SMILES for 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide?
The InChIKey is BPWHTDUVLWCABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O3/c1-9-2-7-13(17(19)20)12(8-9)16-14(18)10-3-5-11(15)6-4-10/h2-8H,1H3,(H,16,18).
What are the key properties of 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide?
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide has a molecular weight of 382.16 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(5-methyl-2-nitrophenyl)benzamide is sourced from PubChem (CID 115912666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).