2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide

C19H21ClFIN2O3 — CID 22286222

IUPAC2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
SMILESCC(C)CC(O)CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C19H21ClFIN2O3/c1-11(2)7-14(25)10-27-24-19(26)15-5-3-12(21)8-18(15)23-17-6-4-13(22)9-16(17)20/h3-6,8-9,11,14,23,25H,7,10H2,1-2H3,(H,24,26)
InChIKeyWHTMHARNYVWYIS-UHFFFAOYSA-N
MW506.74 g/mol
LogP4.90
Rot. Bonds8

About 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide

2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide (PubChem CID 22286222) has the molecular formula C19H21ClFIN2O3 and a molecular weight of 506.74 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
PubChem CID22286222
Molecular FormulaC19H21ClFIN2O3
Molecular Weight506.74 g/mol
Exact Mass506.03
IUPAC Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
SMILESCC(C)CC(O)CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C19H21ClFIN2O3/c1-11(2)7-14(25)10-27-24-19(26)15-5-3-12(21)8-18(15)23-17-6-4-13(22)9-16(17)20/h3-6,8-9,11,14,23,25H,7,10H2,1-2H3,(H,24,26)
InChIKeyWHTMHARNYVWYIS-UHFFFAOYSA-N
XLogP4.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.74
LogP ≤ 54.90
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

5-chloro-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22285979
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide
CID 22286043
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(3-hydroxypropoxy)benzamide
CID 10205117
5-chloro-2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-methylbutoxy)benzamide
CID 22286231
2-(2-chloro-4-iodoanilino)-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 45481529
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxypentoxy)benzamide
CID 22286452
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 22286560
2-(2-chloro-4-iodoanilino)-4,5-difluoro-N-(2-hydroxy-3-phenoxypropoxy)benzamide
CID 22285949
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide (CID 22286222) is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide is CC(C)CC(O)CONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide?
The InChIKey is WHTMHARNYVWYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFIN2O3/c1-11(2)7-14(25)10-27-24-19(26)15-5-3-12(21)8-18(15)23-17-6-4-13(22)9-16(17)20/h3-6,8-9,11,14,23,25H,7,10H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide?
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide has a molecular weight of 506.74 g/mol, XLogP of 4.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide is sourced from PubChem (CID 22286222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).