4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide

C15H13F2IN2O3 — CID 10224849

IUPAC4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1ccc(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C15H13F2IN2O3/c16-9-1-3-11(15(22)20-23-6-5-21)14(7-9)19-13-4-2-10(18)8-12(13)17/h1-4,7-8,19,21H,5-6H2,(H,20,22)
InChIKeyFQELXZARENTIKS-UHFFFAOYSA-N
MW434.18 g/mol
LogP2.97
Rot. Bonds6

About 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide

4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide (PubChem CID 10224849) has the molecular formula C15H13F2IN2O3 and a molecular weight of 434.18 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
PubChem CID10224849
Molecular FormulaC15H13F2IN2O3
Molecular Weight434.18 g/mol
Exact Mass433.99
IUPAC Name4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1ccc(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C15H13F2IN2O3/c16-9-1-3-11(15(22)20-23-6-5-21)14(7-9)19-13-4-2-10(18)8-12(13)17/h1-4,7-8,19,21H,5-6H2,(H,20,22)
InChIKeyFQELXZARENTIKS-UHFFFAOYSA-N
XLogP2.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.18
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
CID 10205117
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide
CID 22285950
6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-oxo-2,3-dihydroisoindole-5-carboxamide
CID 44545707
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 44603081
2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate
CID 175167666
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(E)-[2-(methylamino)-2-oxoethoxy]iminomethyl]benzamide
CID 11444193
5-(1,3-dioxolan-2-yl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 59348028
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide (CID 10224849) is 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide is O=C(NOCCO)c1ccc(F)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide?
The InChIKey is FQELXZARENTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2IN2O3/c16-9-1-3-11(15(22)20-23-6-5-21)14(7-9)19-13-4-2-10(18)8-12(13)17/h1-4,7-8,19,21H,5-6H2,(H,20,22).
What are the key properties of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide?
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide has a molecular weight of 434.18 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 10224849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).