2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide

C17H16ClF2IN2O3 — CID 22286229

IUPAC2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide
SMILESCCC(CO)ONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H16ClF2IN2O3/c1-2-10(8-24)26-23-17(25)11-4-5-13(19)15(20)16(11)22-14-6-3-9(21)7-12(14)18/h3-7,10,22,24H,2,8H2,1H3,(H,23,25)
InChIKeyUYRXEVMQOBNFOW-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.40
Rot. Bonds7

About 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide

2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide (PubChem CID 22286229) has the molecular formula C17H16ClF2IN2O3 and a molecular weight of 496.68 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide
PubChem CID22286229
Molecular FormulaC17H16ClF2IN2O3
Molecular Weight496.68 g/mol
Exact Mass495.99
IUPAC Name2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide
SMILESCCC(CO)ONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H16ClF2IN2O3/c1-2-10(8-24)26-23-17(25)11-4-5-13(19)15(20)16(11)22-14-6-3-9(21)7-12(14)18/h3-7,10,22,24H,2,8H2,1H3,(H,23,25)
InChIKeyUYRXEVMQOBNFOW-UHFFFAOYSA-N
XLogP4.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.40
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'}

Analyze 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)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-N-(1-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286528
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-hydroxy-2-methylpropoxy)benzamide
CID 10228574
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxypentoxy)benzamide
CID 22286452
5-bromo-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(1-hydroxybutan-2-yloxy)benzamide
CID 22286503
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(3-hydroxy-3-methylbutoxy)benzamide
CID 22286519
2-(2-chloro-4-iodoanilino)-3,4,5-trifluoro-N-(4-hydroxybutan-2-yloxy)benzamide
CID 22286597
N-chloro-2-(2-chloro-4-iodoanilino)-N-(2,3-dihydroxypropoxy)-3,4-difluorobenzamide
CID 91478958
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
5-chloro-2-(2-chloro-4-iodoanilino)-N-(1-cyclopropyl-2-hydroxyethoxy)-3,4-difluorobenzamide
CID 22285993
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(4-hydroxybutan-2-yloxy)benzamide
CID 22286591
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide (CID 22286229) is 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide is CCC(CO)ONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide?
The InChIKey is UYRXEVMQOBNFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2IN2O3/c1-2-10(8-24)26-23-17(25)11-4-5-13(19)15(20)16(11)22-14-6-3-9(21)7-12(14)18/h3-7,10,22,24H,2,8H2,1H3,(H,23,25).
What are the key properties of 2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide?
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide has a molecular weight of 496.68 g/mol, XLogP of 4.40, 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)-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)benzamide is sourced from PubChem (CID 22286229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).