N-(4-chloro-3-nitrophenyl)-2-iodobenzamide

C13H8ClIN2O3 — CID 3343277

IUPACN-(4-chloro-3-nitrophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1I
InChIInChI=1S/C13H8ClIN2O3/c14-10-6-5-8(7-12(10)17(19)20)16-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,16,18)
InChIKeyXENDNIJVTXBOCN-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.11
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)-2-iodobenzamide

N-(4-chloro-3-nitrophenyl)-2-iodobenzamide (PubChem CID 3343277) has the molecular formula C13H8ClIN2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-iodobenzamide
PubChem CID3343277
Molecular FormulaC13H8ClIN2O3
Molecular Weight402.58 g/mol
Exact Mass401.93
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1I
InChIInChI=1S/C13H8ClIN2O3/c14-10-6-5-8(7-12(10)17(19)20)16-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,16,18)
InChIKeyXENDNIJVTXBOCN-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

N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
CID 1123704
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
CID 768178
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-iodobenzamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-iodobenzamide (CID 3343277) is N-(4-chloro-3-nitrophenyl)-2-iodobenzamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-iodobenzamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-iodobenzamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1I.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-iodobenzamide?
The InChIKey is XENDNIJVTXBOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2O3/c14-10-6-5-8(7-12(10)17(19)20)16-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,16,18).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-iodobenzamide?
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide 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 N-(4-chloro-3-nitrophenyl)-2-iodobenzamide is sourced from PubChem (CID 3343277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).