4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide

C19H13ClF2IN3O2 — CID 18678035

IUPAC4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide
SMILESO=C(NO)c1cc(F)c(Nc2ccccc2)c(F)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C19H13ClF2IN3O2/c20-13-8-10(23)6-7-15(13)25-17-12(19(27)26-28)9-14(21)18(16(17)22)24-11-4-2-1-3-5-11/h1-9,24-25,28H,(H,26,27)
InChIKeyGWXXKUXSFGIVMK-UHFFFAOYSA-N
MW515.69 g/mol
LogP5.83
Rot. Bonds5

About 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide

4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide (PubChem CID 18678035) has the molecular formula C19H13ClF2IN3O2 and a molecular weight of 515.69 g/mol. Its IUPAC name is 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide
PubChem CID18678035
Molecular FormulaC19H13ClF2IN3O2
Molecular Weight515.69 g/mol
Exact Mass514.97
IUPAC Name4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide
SMILESO=C(NO)c1cc(F)c(Nc2ccccc2)c(F)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C19H13ClF2IN3O2/c20-13-8-10(23)6-7-15(13)25-17-12(19(27)26-28)9-14(21)18(16(17)22)24-11-4-2-1-3-5-11/h1-9,24-25,28H,(H,26,27)
InChIKeyGWXXKUXSFGIVMK-UHFFFAOYSA-N
XLogP5.83
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.69
LogP ≤ 55.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-[4-(ethoxycarbamoyl)anilino]-3-fluoro-N-hydroxy-5-nitrobenzamide
CID 174442096
2-(2-chloro-4-iodoanilino)-3,4,5-trifluoro-N-(4-hydroxybutan-2-yloxy)benzamide
CID 22286597
2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide
CID 139878858
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxypropoxy)benzamide
CID 10120406
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-3-phenoxypropoxy)benzamide
CID 22271598
2-(2-chloro-4-iodoanilino)-3,4,5-trifluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
CID 22286415
2-(2-chloro-4-iodoanilino)-4,5-difluoro-N-(2-hydroxy-3-phenoxypropoxy)benzamide
CID 22285949
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(4-hydroxybutan-2-yloxy)benzamide
CID 22286591
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
(2,3,4,5,6-pentafluorophenyl) 5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluorobenzoate
CID 23398487
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)oxybenzamide
CID 10166959

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide?
The IUPAC name of 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide (CID 18678035) is 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide?
The canonical SMILES for 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide is O=C(NO)c1cc(F)c(Nc2ccccc2)c(F)c1Nc1ccc(I)cc1Cl.
What is the InChIKey of 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide?
The InChIKey is GWXXKUXSFGIVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2IN3O2/c20-13-8-10(23)6-7-15(13)25-17-12(19(27)26-28)9-14(21)18(16(17)22)24-11-4-2-1-3-5-11/h1-9,24-25,28H,(H,26,27).
What are the key properties of 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide?
4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide has a molecular weight of 515.69 g/mol, XLogP of 5.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide is sourced from PubChem (CID 18678035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).