5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide

C17H14F3IN2O2 — CID 176716521

IUPAC5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide
SMILESCONC(=O)c1cc(C2CC2)c(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H14F3IN2O2/c1-25-23-17(24)11-7-10(8-2-3-8)14(19)15(20)16(11)22-13-5-4-9(21)6-12(13)18/h4-8,22H,2-3H2,1H3,(H,23,24)
InChIKeyWMBACEJTOQKTLD-UHFFFAOYSA-N
MW462.21 g/mol
LogP4.62
Rot. Bonds5

About 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide

5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide (PubChem CID 176716521) has the molecular formula C17H14F3IN2O2 and a molecular weight of 462.21 g/mol. Its IUPAC name is 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide.

Molecular Properties

Compound Name5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide
PubChem CID176716521
Molecular FormulaC17H14F3IN2O2
Molecular Weight462.21 g/mol
Exact Mass462.01
IUPAC Name5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide
SMILESCONC(=O)c1cc(C2CC2)c(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H14F3IN2O2/c1-25-23-17(24)11-7-10(8-2-3-8)14(19)15(20)16(11)22-13-5-4-9(21)6-12(13)18/h4-8,22H,2-3H2,1H3,(H,23,24)
InChIKeyWMBACEJTOQKTLD-UHFFFAOYSA-N
XLogP4.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.21
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(1,3-dioxolan-2-yl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 59348028
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-[[2-fluoro-3-(methanesulfonamido)phenyl]methyl]-N-methoxybenzamide
CID 156808803
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 167361757
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22285996
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22286269
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(Z)-N-(2-hydroxyethoxy)-C-methylcarbonimidoyl]benzamide
CID 23132344
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 22271685
(2,3,4,5,6-pentafluorophenyl) 3,4,5-trifluoro-2-(2-fluoro-4-iodoanilino)benzoate
CID 23398481
methyl 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-formylbenzoate
CID 156808966
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(E)-N-(2-hydroxyethoxy)-C-(2-hydroxyethyl)carbonimidoyl]benzamide
CID 11376705
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide?
The IUPAC name of 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide (CID 176716521) is 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide.
What is the SMILES notation for 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide?
The canonical SMILES for 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide is CONC(=O)c1cc(C2CC2)c(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide?
The InChIKey is WMBACEJTOQKTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3IN2O2/c1-25-23-17(24)11-7-10(8-2-3-8)14(19)15(20)16(11)22-13-5-4-9(21)6-12(13)18/h4-8,22H,2-3H2,1H3,(H,23,24).
What are the key properties of 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide?
5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide has a molecular weight of 462.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide is sourced from PubChem (CID 176716521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).