4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide

C18H20FIN2O3 — CID 22286611

IUPAC4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
SMILESCCC(O)CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1C
InChIInChI=1S/C18H20FIN2O3/c1-3-14(23)10-25-22-18(24)15-6-4-12(19)9-17(15)21-16-7-5-13(20)8-11(16)2/h4-9,14,21,23H,3,10H2,1-2H3,(H,22,24)
InChIKeyQBJWJVIWYFPPGV-UHFFFAOYSA-N
MW458.27 g/mol
LogP3.91
Rot. Bonds7

About 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide

4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide (PubChem CID 22286611) has the molecular formula C18H20FIN2O3 and a molecular weight of 458.27 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
PubChem CID22286611
Molecular FormulaC18H20FIN2O3
Molecular Weight458.27 g/mol
Exact Mass458.05
IUPAC Name4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
SMILESCCC(O)CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1C
InChIInChI=1S/C18H20FIN2O3/c1-3-14(23)10-25-22-18(24)15-6-4-12(19)9-17(15)21-16-7-5-13(20)8-11(16)2/h4-9,14,21,23H,3,10H2,1-2H3,(H,22,24)
InChIKeyQBJWJVIWYFPPGV-UHFFFAOYSA-N
XLogP3.91
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.27
LogP ≤ 53.91
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

2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22286222
N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22285937
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
CID 10216768
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide
CID 22286043
N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 10173887
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 10173990
N-[3-(diethylamino)-2-hydroxypropyl]-5-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22271689
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
5-bromo-3,4-difluoro-N-(2-hydroxypropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22271642
5-bromo-4-fluoro-N-(3-hydroxy-2-methoxypropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286321
4,5-difluoro-N-(3-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 87738648

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide (CID 22286611) is 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide is CCC(O)CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1C.
What is the InChIKey of 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide?
The InChIKey is QBJWJVIWYFPPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FIN2O3/c1-3-14(23)10-25-22-18(24)15-6-4-12(19)9-17(15)21-16-7-5-13(20)8-11(16)2/h4-9,14,21,23H,3,10H2,1-2H3,(H,22,24).
What are the key properties of 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide?
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide has a molecular weight of 458.27 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 22286611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).