5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide

C17H15ClF3IN2O3 — CID 22271671

IUPAC5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
SMILESCCC(O)CONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15ClF3IN2O3/c1-2-9(25)7-27-24-17(26)10-6-11(18)14(20)15(21)16(10)23-13-4-3-8(22)5-12(13)19/h3-6,9,23,25H,2,7H2,1H3,(H,24,26)
InChIKeyYDBVNNDWJVRMMC-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.54
Rot. Bonds7

About 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide

5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide (PubChem CID 22271671) has the molecular formula C17H15ClF3IN2O3 and a molecular weight of 514.67 g/mol. Its IUPAC name is 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide.

Molecular Properties

Compound Name5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
PubChem CID22271671
Molecular FormulaC17H15ClF3IN2O3
Molecular Weight514.67 g/mol
Exact Mass513.98
IUPAC Name5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
SMILESCCC(O)CONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15ClF3IN2O3/c1-2-9(25)7-27-24-17(26)10-6-11(18)14(20)15(21)16(10)23-13-4-3-8(22)5-12(13)19/h3-6,9,23,25H,2,7H2,1H3,(H,24,26)
InChIKeyYDBVNNDWJVRMMC-UHFFFAOYSA-N
XLogP4.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22285996
5-chloro-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22285979
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22286269
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxypentoxy)benzamide
CID 22286452
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
5-chloro-3,4-difluoro-N-(3-hydroxy-2-methoxypropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22285951
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
5-chloro-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286528
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-[2-hydroxy-3-(methylamino)propoxy]benzamide
CID 174404685
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-3-phenoxypropoxy)benzamide
CID 22271598
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 22271685

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide?
The IUPAC name of 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide (CID 22271671) is 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide.
What is the SMILES notation for 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide?
The canonical SMILES for 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide is CCC(O)CONC(=O)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide?
The InChIKey is YDBVNNDWJVRMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3IN2O3/c1-2-9(25)7-27-24-17(26)10-6-11(18)14(20)15(21)16(10)23-13-4-3-8(22)5-12(13)19/h3-6,9,23,25H,2,7H2,1H3,(H,24,26).
What are the key properties of 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide?
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide has a molecular weight of 514.67 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide is sourced from PubChem (CID 22271671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).