N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide

C14H8IN3O3 — CID 43377432

IUPACN-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
SMILESN#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H8IN3O3/c15-12-6-5-10(18(20)21)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7H,(H,17,19)
InChIKeyFEZVPYGQMHAFKG-UHFFFAOYSA-N
MW393.14 g/mol
LogP3.32
Rot. Bonds3

About N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide

N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide (PubChem CID 43377432) has the molecular formula C14H8IN3O3 and a molecular weight of 393.14 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
PubChem CID43377432
Molecular FormulaC14H8IN3O3
Molecular Weight393.14 g/mol
Exact Mass392.96
IUPAC NameN-(2-cyanophenyl)-2-iodo-5-nitrobenzamide
SMILESN#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C14H8IN3O3/c15-12-6-5-10(18(20)21)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7H,(H,17,19)
InChIKeyFEZVPYGQMHAFKG-UHFFFAOYSA-N
XLogP3.32
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.14
LogP ≤ 53.32
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-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-bromo-N-(2-cyano-4-nitrophenyl)benzamide
CID 60704050
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
methyl 3-[(2-iodo-5-nitrobenzoyl)amino]-2-methylbenzoate
CID 78904302
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N-[3-chloro-2-(dimethylamino)phenyl]-2-iodo-5-nitrobenzamide
CID 55762753
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
2-iodo-5-nitro-N-(thiadiazol-5-yl)benzamide
CID 114912062
2-iodo-N-(4-methyl-3-pyridinyl)-5-nitrobenzamide
CID 63327531
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(methylamino)-5-nitrobenzoate
CID 7752168
2-fluoro-N-(2-methylsulfanylphenyl)-5-nitrobenzamide
CID 61042259

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide?
The IUPAC name of N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide (CID 43377432) is N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide is N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide?
The InChIKey is FEZVPYGQMHAFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8IN3O3/c15-12-6-5-10(18(20)21)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7H,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide?
N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide has a molecular weight of 393.14 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 43377432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).