4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide

C13H11IN4O3 — CID 62242193

IUPAC4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide
SMILESNNc1ccc(C(=O)Nc2cccc(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11IN4O3/c14-9-2-1-3-10(7-9)16-13(19)8-4-5-11(17-15)12(6-8)18(20)21/h1-7,17H,15H2,(H,16,19)
InChIKeyHJUPRYYQWUIUFY-UHFFFAOYSA-N
MW398.16 g/mol
LogP2.74
Rot. Bonds4

About 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide

4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide (PubChem CID 62242193) has the molecular formula C13H11IN4O3 and a molecular weight of 398.16 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide
PubChem CID62242193
Molecular FormulaC13H11IN4O3
Molecular Weight398.16 g/mol
Exact Mass397.99
IUPAC Name4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide
SMILESNNc1ccc(C(=O)Nc2cccc(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11IN4O3/c14-9-2-1-3-10(7-9)16-13(19)8-4-5-11(17-15)12(6-8)18(20)21/h1-7,17H,15H2,(H,16,19)
InChIKeyHJUPRYYQWUIUFY-UHFFFAOYSA-N
XLogP2.74
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
N-(3-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27826592
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
N-(3-chlorophenyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682889
N-(3-iodophenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide
CID 26757576
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
N-(3-iodophenyl)-4-(4-nitrophenoxy)benzamide
CID 1381387
4-(2-aminoethylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2947816
N-(4-iodo-2-nitrophenyl)benzamide
CID 177460424
4-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide (CID 62242193) is 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide is NNc1ccc(C(=O)Nc2cccc(I)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide?
The InChIKey is HJUPRYYQWUIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN4O3/c14-9-2-1-3-10(7-9)16-13(19)8-4-5-11(17-15)12(6-8)18(20)21/h1-7,17H,15H2,(H,16,19).
What are the key properties of 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide?
4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide has a molecular weight of 398.16 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-iodophenyl)-3-nitrobenzamide is sourced from PubChem (CID 62242193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).