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

C13H10IN3O3 — CID 62681027

IUPAC3-amino-N-(2-iodophenyl)-4-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccccc2I)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10IN3O3/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-12(17(19)20)10(15)7-8/h1-7H,15H2,(H,16,18)
InChIKeyFQXVJWORNCIUCL-UHFFFAOYSA-N
MW383.15 g/mol
LogP3.03
Rot. Bonds3

About 3-amino-N-(2-iodophenyl)-4-nitrobenzamide

3-amino-N-(2-iodophenyl)-4-nitrobenzamide (PubChem CID 62681027) has the molecular formula C13H10IN3O3 and a molecular weight of 383.15 g/mol. Its IUPAC name is 3-amino-N-(2-iodophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-iodophenyl)-4-nitrobenzamide
PubChem CID62681027
Molecular FormulaC13H10IN3O3
Molecular Weight383.15 g/mol
Exact Mass382.98
IUPAC Name3-amino-N-(2-iodophenyl)-4-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccccc2I)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10IN3O3/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-12(17(19)20)10(15)7-8/h1-7H,15H2,(H,16,18)
InChIKeyFQXVJWORNCIUCL-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

3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
4-chloro-N-(2-iodophenyl)-3,5-dinitrobenzamide
CID 4629817
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
3-amino-N-(2-fluoro-4-methylphenyl)-4-nitrobenzamide
CID 62682826
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
3-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
3-amino-N-(3-methyl-4-pyridinyl)-4-nitrobenzamide
CID 63670887
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
(3-amino-4-nitrophenyl)-phenylmethanone
CID 4017647
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-iodophenyl)-4-nitrobenzamide?
The IUPAC name of 3-amino-N-(2-iodophenyl)-4-nitrobenzamide (CID 62681027) is 3-amino-N-(2-iodophenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(2-iodophenyl)-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-(2-iodophenyl)-4-nitrobenzamide is Nc1cc(C(=O)Nc2ccccc2I)ccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(2-iodophenyl)-4-nitrobenzamide?
The InChIKey is FQXVJWORNCIUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O3/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-12(17(19)20)10(15)7-8/h1-7H,15H2,(H,16,18).
What are the key properties of 3-amino-N-(2-iodophenyl)-4-nitrobenzamide?
3-amino-N-(2-iodophenyl)-4-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 3-amino-N-(2-iodophenyl)-4-nitrobenzamide is sourced from PubChem (CID 62681027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).