5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide

C17H13Cl2F2IN2O3 — CID 22286441

IUPAC5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide
SMILESO=C(NOC(O)C1CC1)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H13Cl2F2IN2O3/c18-10-5-8(22)3-4-12(10)23-15-9(6-11(19)13(20)14(15)21)16(25)24-27-17(26)7-1-2-7/h3-7,17,23,26H,1-2H2,(H,24,25)
InChIKeyXHXYSLKBQTWECZ-UHFFFAOYSA-N
MW529.11 g/mol
LogP5.01
Rot. Bonds6

About 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide

5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide (PubChem CID 22286441) has the molecular formula C17H13Cl2F2IN2O3 and a molecular weight of 529.11 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide
PubChem CID22286441
Molecular FormulaC17H13Cl2F2IN2O3
Molecular Weight529.11 g/mol
Exact Mass527.93
IUPAC Name5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide
SMILESO=C(NOC(O)C1CC1)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1Cl
InChIInChI=1S/C17H13Cl2F2IN2O3/c18-10-5-8(22)3-4-12(10)23-15-9(6-11(19)13(20)14(15)21)16(25)24-27-17(26)7-1-2-7/h3-7,17,23,26H,1-2H2,(H,24,25)
InChIKeyXHXYSLKBQTWECZ-UHFFFAOYSA-N
XLogP5.01
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.11
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide 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-2-(2-chloro-4-iodoanilino)-N-(1-cyclopropyl-2-hydroxyethoxy)-3,4-difluorobenzamide
CID 22285993
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
5-bromo-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-4-fluorobenzamide
CID 22286602
5-chloro-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-4-methylpentoxy)benzamide
CID 22285979
5-chloro-3,4-difluoro-N-(1-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286528
2-(2-chloro-4-iodoanilino)-3,4,5-trifluoro-N-(4-hydroxybutan-2-yloxy)benzamide
CID 22286597
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxybutoxy)benzamide
CID 22271671
5-bromo-2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(4-hydroxybutan-2-yloxy)benzamide
CID 22286591
5-chloro-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxy-3-methoxypropoxy)benzamide
CID 22285996
5-chloro-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]-2-(4-iodo-2-methylanilino)benzamide
CID 22286016
2-(2-chloro-4-iodoanilino)-3,4,5-trifluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
CID 22286415
N-[cyclobutyl(hydroxy)methoxy]-4,5-difluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22286539

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide?
The IUPAC name of 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide (CID 22286441) is 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide?
The canonical SMILES for 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide is O=C(NOC(O)C1CC1)c1cc(Cl)c(F)c(F)c1Nc1ccc(I)cc1Cl.
What is the InChIKey of 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide?
The InChIKey is XHXYSLKBQTWECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2IN2O3/c18-10-5-8(22)3-4-12(10)23-15-9(6-11(19)13(20)14(15)21)16(25)24-27-17(26)7-1-2-7/h3-7,17,23,26H,1-2H2,(H,24,25).
What are the key properties of 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide?
5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide has a molecular weight of 529.11 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-3,4-difluorobenzamide is sourced from PubChem (CID 22286441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).