N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide

C13H7ClFIN2O3 — CID 103774972

IUPACN-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H7ClFIN2O3/c14-7-3-8(15)5-9(4-7)17-13(19)11-6-10(18(20)21)1-2-12(11)16/h1-6H,(H,17,19)
InChIKeyGWCJYQGWDQPJMK-UHFFFAOYSA-N
MW420.57 g/mol
LogP4.24
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide

N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide (PubChem CID 103774972) has the molecular formula C13H7ClFIN2O3 and a molecular weight of 420.57 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
PubChem CID103774972
Molecular FormulaC13H7ClFIN2O3
Molecular Weight420.57 g/mol
Exact Mass419.92
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1I
InChIInChI=1S/C13H7ClFIN2O3/c14-7-3-8(15)5-9(4-7)17-13(19)11-6-10(18(20)21)1-2-12(11)16/h1-6H,(H,17,19)
InChIKeyGWCJYQGWDQPJMK-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'}

Analyze N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532
2-iodo-N-(4-iodophenyl)-5-nitrobenzamide
CID 38888111
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
2-[(3,5-dichlorophenyl)carbamoyl]-4-nitrobenzoic acid
CID 126380677
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
N-[4-(difluoromethoxy)phenyl]-2-iodo-5-nitrobenzamide
CID 38902692
2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide (CID 103774972) is N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide is O=C(Nc1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1I.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide?
The InChIKey is GWCJYQGWDQPJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFIN2O3/c14-7-3-8(15)5-9(4-7)17-13(19)11-6-10(18(20)21)1-2-12(11)16/h1-6H,(H,17,19).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide?
N-(3-chloro-5-fluorophenyl)-2-iodo-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-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide is sourced from PubChem (CID 103774972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).