5-amino-N-(4-iodophenyl)-2-nitrobenzamide

C13H10IN3O3 — CID 62155605

IUPAC5-amino-N-(4-iodophenyl)-2-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C13H10IN3O3/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyYULDXOXJJXEKOT-UHFFFAOYSA-N
MW383.15 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-N-(4-iodophenyl)-2-nitrobenzamide

5-amino-N-(4-iodophenyl)-2-nitrobenzamide (PubChem CID 62155605) has the molecular formula C13H10IN3O3 and a molecular weight of 383.15 g/mol. Its IUPAC name is 5-amino-N-(4-iodophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-(4-iodophenyl)-2-nitrobenzamide
PubChem CID62155605
Molecular FormulaC13H10IN3O3
Molecular Weight383.15 g/mol
Exact Mass382.98
IUPAC Name5-amino-N-(4-iodophenyl)-2-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2)c1
InChIInChI=1S/C13H10IN3O3/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyYULDXOXJJXEKOT-UHFFFAOYSA-N
XLogP3.03
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.15
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

5-amino-N-(4-fluoro-3-methylphenyl)-2-nitrobenzamide
CID 62811596
5-amino-N-(3-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 104781598
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
5-amino-N-(3-bromophenyl)-2-nitrobenzamide
CID 62154023
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
CID 62155739
5-amino-N-(2-fluoro-5-methylphenyl)-2-nitrobenzamide
CID 62156286
5-amino-N-(2-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 62156280
5-amino-N-(5-chloro-2-methylphenyl)-2-nitrobenzamide
CID 62152485
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
5-amino-N-(3-methylbutan-2-yl)-2-nitrobenzamide
CID 62155269

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-iodophenyl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-(4-iodophenyl)-2-nitrobenzamide (CID 62155605) is 5-amino-N-(4-iodophenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-(4-iodophenyl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-(4-iodophenyl)-2-nitrobenzamide is Nc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(I)cc2)c1.
What is the InChIKey of 5-amino-N-(4-iodophenyl)-2-nitrobenzamide?
The InChIKey is YULDXOXJJXEKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O3/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of 5-amino-N-(4-iodophenyl)-2-nitrobenzamide?
5-amino-N-(4-iodophenyl)-2-nitrobenzamide has a molecular weight of 383.15 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-iodophenyl)-2-nitrobenzamide is sourced from PubChem (CID 62155605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).