N-(4-iodo-2-nitrophenyl)benzamide

C13H9IN2O3 — CID 177460424

IUPACN-(4-iodo-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H9IN2O3/c14-10-6-7-11(12(8-10)16(18)19)15-13(17)9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKeyHKPWDUFTBTXNLO-UHFFFAOYSA-N
MW368.13 g/mol
LogP3.45
Rot. Bonds3

About N-(4-iodo-2-nitrophenyl)benzamide

N-(4-iodo-2-nitrophenyl)benzamide (PubChem CID 177460424) has the molecular formula C13H9IN2O3 and a molecular weight of 368.13 g/mol. Its IUPAC name is N-(4-iodo-2-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-(4-iodo-2-nitrophenyl)benzamide
PubChem CID177460424
Molecular FormulaC13H9IN2O3
Molecular Weight368.13 g/mol
Exact Mass367.97
IUPAC NameN-(4-iodo-2-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(I)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C13H9IN2O3/c14-10-6-7-11(12(8-10)16(18)19)15-13(17)9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKeyHKPWDUFTBTXNLO-UHFFFAOYSA-N
XLogP3.45
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-iodo-N-(2-nitrophenyl)benzamide
CID 2889506
3-(4-iodo-2-nitroanilino)benzoic acid
CID 66064658
N-(2-nitro-4-thiophen-2-ylphenyl)benzamide
CID 91406770
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(2,3-dimethyl-4-nitrophenyl)benzamide
CID 156690206
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 60703620
2-(4-iodo-2-nitrophenyl)-1-phenylethanone
CID 66080564
3-nitro-4-(pyridine-4-carbonylamino)benzoic acid
CID 60846267
2-(4-iodo-2-nitroanilino)propanoic acid
CID 66064852
3-iodo-N-[(4-iodo-2-nitrophenyl)carbamothioyl]-5-methylbenzamide
CID 121459639
N-(1,2,6-trimethyl-5-nitropyridin-1-ium-3-yl)benzamide
CID 139221977

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-nitrophenyl)benzamide?
The IUPAC name of N-(4-iodo-2-nitrophenyl)benzamide (CID 177460424) is N-(4-iodo-2-nitrophenyl)benzamide.
What is the SMILES notation for N-(4-iodo-2-nitrophenyl)benzamide?
The canonical SMILES for N-(4-iodo-2-nitrophenyl)benzamide is O=C(Nc1ccc(I)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(4-iodo-2-nitrophenyl)benzamide?
The InChIKey is HKPWDUFTBTXNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2O3/c14-10-6-7-11(12(8-10)16(18)19)15-13(17)9-4-2-1-3-5-9/h1-8H,(H,15,17).
What are the key properties of N-(4-iodo-2-nitrophenyl)benzamide?
N-(4-iodo-2-nitrophenyl)benzamide has a molecular weight of 368.13 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-nitrophenyl)benzamide is sourced from PubChem (CID 177460424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).