4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide

C17H15F2IN2O3 — CID 22285950

IUPAC4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide
SMILESO=C(NOC1(CO)CC1)c1ccc(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15F2IN2O3/c18-10-1-3-12(16(24)22-25-17(9-23)5-6-17)15(7-10)21-14-4-2-11(20)8-13(14)19/h1-4,7-8,21,23H,5-6,9H2,(H,22,24)
InChIKeyBCNMIZCWLMGVTK-UHFFFAOYSA-N
MW460.22 g/mol
LogP3.50
Rot. Bonds6

About 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide

4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide (PubChem CID 22285950) has the molecular formula C17H15F2IN2O3 and a molecular weight of 460.22 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide
PubChem CID22285950
Molecular FormulaC17H15F2IN2O3
Molecular Weight460.22 g/mol
Exact Mass460.01
IUPAC Name4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide
SMILESO=C(NOC1(CO)CC1)c1ccc(F)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15F2IN2O3/c18-10-1-3-12(16(24)22-25-17(9-23)5-6-17)15(7-10)21-14-4-2-11(20)8-13(14)19/h1-4,7-8,21,23H,5-6,9H2,(H,22,24)
InChIKeyBCNMIZCWLMGVTK-UHFFFAOYSA-N
XLogP3.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.22
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopropyl]oxy-2-(4-iodo-2-methylanilino)benzamide
CID 22286146
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
6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-oxo-2,3-dihydroisoindole-5-carboxamide
CID 44545707
5-bromo-4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[(1-hydroxycyclobutyl)methoxy]benzamide
CID 87737791
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 22286560
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22286222
2-[[4-cyano-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxyethyl N-methylcarbamate
CID 175167666

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide?
The IUPAC name of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide (CID 22285950) is 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide?
The canonical SMILES for 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide is O=C(NOC1(CO)CC1)c1ccc(F)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide?
The InChIKey is BCNMIZCWLMGVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2IN2O3/c18-10-1-3-12(16(24)22-25-17(9-23)5-6-17)15(7-10)21-14-4-2-11(20)8-13(14)19/h1-4,7-8,21,23H,5-6,9H2,(H,22,24).
What are the key properties of 4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide?
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide has a molecular weight of 460.22 g/mol, XLogP of 3.50, 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-[1-(hydroxymethyl)cyclopropyl]oxybenzamide is sourced from PubChem (CID 22285950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).