2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide

C14H11IN2O4 — CID 60619486

IUPAC2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1
InChIInChI=1S/C14H11IN2O4/c1-21-11-5-2-9(3-6-11)16-14(18)12-7-4-10(17(19)20)8-13(12)15/h2-8H,1H3,(H,16,18)
InChIKeyWNXMYBVSHORNIZ-UHFFFAOYSA-N
MW398.16 g/mol
LogP3.46
Rot. Bonds4

About 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide

2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide (PubChem CID 60619486) has the molecular formula C14H11IN2O4 and a molecular weight of 398.16 g/mol. Its IUPAC name is 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
PubChem CID60619486
Molecular FormulaC14H11IN2O4
Molecular Weight398.16 g/mol
Exact Mass397.98
IUPAC Name2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1
InChIInChI=1S/C14H11IN2O4/c1-21-11-5-2-9(3-6-11)16-14(18)12-7-4-10(17(19)20)8-13(12)15/h2-8H,1H3,(H,16,18)
InChIKeyWNXMYBVSHORNIZ-UHFFFAOYSA-N
XLogP3.46
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 53.46
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-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
2-ethylsulfanyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 579627
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23770327
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
CID 38902692

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide?
The IUPAC name of 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide (CID 60619486) is 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide?
The canonical SMILES for 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)cc1.
What is the InChIKey of 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide?
The InChIKey is WNXMYBVSHORNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O4/c1-21-11-5-2-9(3-6-11)16-14(18)12-7-4-10(17(19)20)8-13(12)15/h2-8H,1H3,(H,16,18).
What are the key properties of 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide?
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide has a molecular weight of 398.16 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 60619486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).