3-chloro-N-(3-iodophenyl)-2-nitrobenzamide

C13H8ClIN2O3 — CID 79821868

IUPAC3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H8ClIN2O3/c14-11-6-2-5-10(12(11)17(19)20)13(18)16-9-4-1-3-8(15)7-9/h1-7H,(H,16,18)
InChIKeyXJEDHWPGPHAXTH-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.11
Rot. Bonds3

About 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide

3-chloro-N-(3-iodophenyl)-2-nitrobenzamide (PubChem CID 79821868) has the molecular formula C13H8ClIN2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
PubChem CID79821868
Molecular FormulaC13H8ClIN2O3
Molecular Weight402.58 g/mol
Exact Mass401.93
IUPAC Name3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H8ClIN2O3/c14-11-6-2-5-10(12(11)17(19)20)13(18)16-9-4-1-3-8(15)7-9/h1-7H,(H,16,18)
InChIKeyXJEDHWPGPHAXTH-UHFFFAOYSA-N
XLogP4.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.11
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

3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
3-chloro-2-nitro-N-pyrimidin-2-ylbenzamide
CID 79829756
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
3-chloro-N-(2-methylsulfanylphenyl)-2-nitrobenzamide
CID 79836155
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
N-(3-iodophenyl)-5-nitrothiophene-2-carboxamide
CID 7688896
2,3-dinitro-N-phenylbenzamide
CID 18931494

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide?
The IUPAC name of 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide (CID 79821868) is 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide is O=C(Nc1cccc(I)c1)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide?
The InChIKey is XJEDHWPGPHAXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2O3/c14-11-6-2-5-10(12(11)17(19)20)13(18)16-9-4-1-3-8(15)7-9/h1-7H,(H,16,18).
What are the key properties of 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide?
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide has a molecular weight of 402.58 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-iodophenyl)-2-nitrobenzamide is sourced from PubChem (CID 79821868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).