2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide

C17H10Cl3F2IN2O2 — CID 166988687

IUPAC2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(I)c1F)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl
InChIInChI=1S/C17H10Cl3F2IN2O2/c18-10-2-1-7(24-16(27)9-6-17(9,19)20)5-8(10)15(26)25-12-4-3-11(21)14(23)13(12)22/h1-5,9H,6H2,(H,24,27)(H,25,26)
InChIKeyJMSPFHZINQVBAL-UHFFFAOYSA-N
MW545.54 g/mol
LogP5.61
Rot. Bonds4

About 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide (PubChem CID 166988687) has the molecular formula C17H10Cl3F2IN2O2 and a molecular weight of 545.54 g/mol. Its IUPAC name is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
PubChem CID166988687
Molecular FormulaC17H10Cl3F2IN2O2
Molecular Weight545.54 g/mol
Exact Mass543.88
IUPAC Name2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(I)c1F)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl
InChIInChI=1S/C17H10Cl3F2IN2O2/c18-10-2-1-7(24-16(27)9-6-17(9,19)20)5-8(10)15(26)25-12-4-3-11(21)14(23)13(12)22/h1-5,9H,6H2,(H,24,27)(H,25,26)
InChIKeyJMSPFHZINQVBAL-UHFFFAOYSA-N
XLogP5.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.54
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-bromo-2,2-difluoroacetyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134418265
2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988628
N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166992601
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 134418667
2-chloro-N-[3-[(2-cyanoacetyl)-methylamino]-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988637
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-3-[(4,4,4-trifluoro-2-methylbutanoyl)amino]phenyl]benzamide
CID 138703133
N-[3-[(2-bromo-4,4,4-trifluorobutanoyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 138703166
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 138652651
N-(3-acetamido-2,4-difluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-3-fluorobenzamide
CID 134418951
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-[2-ethoxypropanoyl(propyl)amino]-2,4-difluorophenyl]benzamide
CID 166988547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide?
The IUPAC name of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide (CID 166988687) is 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide?
The canonical SMILES for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide is O=C(Nc1ccc(F)c(I)c1F)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide?
The InChIKey is JMSPFHZINQVBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3F2IN2O2/c18-10-2-1-7(24-16(27)9-6-17(9,19)20)5-8(10)15(26)25-12-4-3-11(21)14(23)13(12)22/h1-5,9H,6H2,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide?
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide has a molecular weight of 545.54 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide is sourced from PubChem (CID 166988687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).