N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide

C17H11Cl3F3N3O2 — CID 166988621

IUPACN-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide
SMILESNc1c(F)ccc(NC(=O)c2c(Cl)ccc(NC(=O)C3CC3(Cl)Cl)c2F)c1F
InChIInChI=1S/C17H11Cl3F3N3O2/c18-7-1-3-9(25-15(27)6-5-17(6,19)20)12(22)11(7)16(28)26-10-4-2-8(21)14(24)13(10)23/h1-4,6H,5,24H2,(H,25,27)(H,26,28)
InChIKeyJTBANELCOJNKFL-UHFFFAOYSA-N
MW452.65 g/mol
LogP4.72
Rot. Bonds4

About N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide

N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide (PubChem CID 166988621) has the molecular formula C17H11Cl3F3N3O2 and a molecular weight of 452.65 g/mol. Its IUPAC name is N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide
PubChem CID166988621
Molecular FormulaC17H11Cl3F3N3O2
Molecular Weight452.65 g/mol
Exact Mass450.99
IUPAC NameN-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide
SMILESNc1c(F)ccc(NC(=O)c2c(Cl)ccc(NC(=O)C3CC3(Cl)Cl)c2F)c1F
InChIInChI=1S/C17H11Cl3F3N3O2/c18-7-1-3-9(25-15(27)6-5-17(6,19)20)12(22)11(7)16(28)26-10-4-2-8(21)14(24)13(10)23/h1-4,6H,5,24H2,(H,25,27)(H,26,28)
InChIKeyJTBANELCOJNKFL-UHFFFAOYSA-N
XLogP4.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-(2,4-difluoro-3-iodophenyl)benzamide
CID 166988687
N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166992601
N-(3-amino-2,4-difluorophenyl)-2,6-dichloro-3-[[2,2-dichloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 138703038
2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988628
2-chloro-N-[3-[(2-cyanoacetyl)-methylamino]-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988637
N-[3-[(2-bromo-2,2-difluoroacetyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134418265
N-(3-acetamido-2,4-difluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-3-fluorobenzamide
CID 134418951
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418271
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 134418681
N-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[3-(3,5-dichlorophenyl)-2,2-difluorocyclopropanecarbonyl]amino]benzamide
CID 134417961

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide?
The IUPAC name of N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide (CID 166988621) is N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide is Nc1c(F)ccc(NC(=O)c2c(Cl)ccc(NC(=O)C3CC3(Cl)Cl)c2F)c1F.
What is the InChIKey of N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide?
The InChIKey is JTBANELCOJNKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3F3N3O2/c18-7-1-3-9(25-15(27)6-5-17(6,19)20)12(22)11(7)16(28)26-10-4-2-8(21)14(24)13(10)23/h1-4,6H,5,24H2,(H,25,27)(H,26,28).
What are the key properties of N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide?
N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide has a molecular weight of 452.65 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 166988621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).