N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide

C15H13IN2O4 — CID 7758932

IUPACN-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13IN2O4/c1-9-3-5-11(8-12(9)16)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyRJDJPGFLZOGUPU-UHFFFAOYSA-N
MW412.18 g/mol
LogP3.77
Rot. Bonds4

About N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide

N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 7758932) has the molecular formula C15H13IN2O4 and a molecular weight of 412.18 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
PubChem CID7758932
Molecular FormulaC15H13IN2O4
Molecular Weight412.18 g/mol
Exact Mass411.99
IUPAC NameN-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13IN2O4/c1-9-3-5-11(8-12(9)16)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyRJDJPGFLZOGUPU-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

N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
4-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 71904035
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575664
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
CID 1139335
2-[4-[(4-methoxy-3-nitrobenzoyl)amino]phenyl]acetic acid
CID 891508
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230
N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
CID 953258
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide (CID 7758932) is N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccc(C)c(I)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is RJDJPGFLZOGUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O4/c1-9-3-5-11(8-12(9)16)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide?
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide 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 N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 7758932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).