N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide

C13H7ClFIN2O3 — CID 103766905

IUPACN-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H7ClFIN2O3/c14-7-1-4-12(11(16)5-7)17-13(19)9-6-8(18(20)21)2-3-10(9)15/h1-6H,(H,17,19)
InChIKeyIOAGXRQEWGHSIV-UHFFFAOYSA-N
MW420.57 g/mol
LogP4.24
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide

N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide (PubChem CID 103766905) has the molecular formula C13H7ClFIN2O3 and a molecular weight of 420.57 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
PubChem CID103766905
Molecular FormulaC13H7ClFIN2O3
Molecular Weight420.57 g/mol
Exact Mass419.92
IUPAC NameN-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H7ClFIN2O3/c14-7-1-4-12(11(16)5-7)17-13(19)9-6-8(18(20)21)2-3-10(9)15/h1-6H,(H,17,19)
InChIKeyIOAGXRQEWGHSIV-UHFFFAOYSA-N
XLogP4.24
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 54.24
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-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
2-fluoro-N-(2-methylsulfanylphenyl)-5-nitrobenzamide
CID 61042259
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide (CID 103766905) is N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide is O=C(Nc1ccc(Cl)cc1I)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide?
The InChIKey is IOAGXRQEWGHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFIN2O3/c14-7-1-4-12(11(16)5-7)17-13(19)9-6-8(18(20)21)2-3-10(9)15/h1-6H,(H,17,19).
What are the key properties of N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide?
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide has a molecular weight of 420.57 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide is sourced from PubChem (CID 103766905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).