5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide

C14H9ClFIN2O4 — CID 52696142

IUPAC5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H9ClFIN2O4/c1-23-13-6-11(17)9(15)5-8(13)14(20)18-12-4-7(19(21)22)2-3-10(12)16/h2-6H,1H3,(H,18,20)
InChIKeyNQRWUKGXOSWQNY-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.25
Rot. Bonds4

About 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide

5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide (PubChem CID 52696142) has the molecular formula C14H9ClFIN2O4 and a molecular weight of 450.59 g/mol. Its IUPAC name is 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide
PubChem CID52696142
Molecular FormulaC14H9ClFIN2O4
Molecular Weight450.59 g/mol
Exact Mass449.93
IUPAC Name5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C14H9ClFIN2O4/c1-23-13-6-11(17)9(15)5-8(13)14(20)18-12-4-7(19(21)22)2-3-10(12)16/h2-6H,1H3,(H,18,20)
InChIKeyNQRWUKGXOSWQNY-UHFFFAOYSA-N
XLogP4.25
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
CID 31929454
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2615056
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide (CID 52696142) is 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide is COc1cc(I)c(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide?
The InChIKey is NQRWUKGXOSWQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFIN2O4/c1-23-13-6-11(17)9(15)5-8(13)14(20)18-12-4-7(19(21)22)2-3-10(12)16/h2-6H,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide?
5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide has a molecular weight of 450.59 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 52696142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).