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

C13H7ClFIN2O3 — CID 38926215

IUPAC4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1I
InChIInChI=1S/C13H7ClFIN2O3/c14-7-1-3-9(11(16)5-7)13(19)17-8-2-4-10(15)12(6-8)18(20)21/h1-6H,(H,17,19)
InChIKeyHPGPDRULTIOWTF-UHFFFAOYSA-N
MW420.57 g/mol
LogP4.24
Rot. Bonds3

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

4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide (PubChem CID 38926215) has the molecular formula C13H7ClFIN2O3 and a molecular weight of 420.57 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
PubChem CID38926215
Molecular FormulaC13H7ClFIN2O3
Molecular Weight420.57 g/mol
Exact Mass419.92
IUPAC Name4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1I
InChIInChI=1S/C13H7ClFIN2O3/c14-7-1-3-9(11(16)5-7)13(19)17-8-2-4-10(15)12(6-8)18(20)21/h1-6H,(H,17,19)
InChIKeyHPGPDRULTIOWTF-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

2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-2-iodobenzamide
CID 4072884
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide?
The IUPAC name of 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide (CID 38926215) is 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide.
What is the SMILES notation for 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide?
The canonical SMILES for 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1I.
What is the InChIKey of 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide?
The InChIKey is HPGPDRULTIOWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFIN2O3/c14-7-1-3-9(11(16)5-7)13(19)17-8-2-4-10(15)12(6-8)18(20)21/h1-6H,(H,17,19).
What are the key properties of 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide?
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide 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 4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide is sourced from PubChem (CID 38926215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).