2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide

C18H19ClFIN2O3 — CID 22286560

IUPAC2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
SMILESCC(C)(CCO)ONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C18H19ClFIN2O3/c1-18(2,7-8-24)26-23-17(25)13-5-3-11(20)9-16(13)22-15-6-4-12(21)10-14(15)19/h3-6,9-10,22,24H,7-8H2,1-2H3,(H,23,25)
InChIKeyIFDPDUZSUACARF-UHFFFAOYSA-N
MW492.72 g/mol
LogP4.65
Rot. Bonds7

About 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide

2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide (PubChem CID 22286560) has the molecular formula C18H19ClFIN2O3 and a molecular weight of 492.72 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
PubChem CID22286560
Molecular FormulaC18H19ClFIN2O3
Molecular Weight492.72 g/mol
Exact Mass492.01
IUPAC Name2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
SMILESCC(C)(CCO)ONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C18H19ClFIN2O3/c1-18(2,7-8-24)26-23-17(25)13-5-3-11(20)9-16(13)22-15-6-4-12(21)10-14(15)19/h3-6,9-10,22,24H,7-8H2,1-2H3,(H,23,25)
InChIKeyIFDPDUZSUACARF-UHFFFAOYSA-N
XLogP4.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.72
LogP ≤ 54.65
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-(3-hydroxypropoxy)benzamide
CID 10205117
2-(2-chloro-4-iodoanilino)-4-fluoro-N-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 22286598
5-chloro-3,4-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxy-2-(4-iodo-2-methylanilino)benzamide
CID 22286381
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22286222
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)oxybenzamide
CID 10166959
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 10228574
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286519
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-morpholin-4-ylpropoxy)benzamide
CID 22286043
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-[1-(hydroxymethyl)cyclopropyl]oxybenzamide
CID 22285950
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide (CID 22286560) is 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide is CC(C)(CCO)ONC(=O)c1ccc(F)cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The InChIKey is IFDPDUZSUACARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFIN2O3/c1-18(2,7-8-24)26-23-17(25)13-5-3-11(20)9-16(13)22-15-6-4-12(21)10-14(15)19/h3-6,9-10,22,24H,7-8H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
2-(2-chloro-4-iodoanilino)-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide has a molecular weight of 492.72 g/mol, XLogP of 4.65, 7 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-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide is sourced from PubChem (CID 22286560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).