N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

C17H13Cl3FN3O2 — CID 166992601

IUPACN-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESNc1c(F)cccc1NC(=O)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl
InChIInChI=1S/C17H13Cl3FN3O2/c18-11-5-4-8(23-16(26)10-7-17(10,19)20)6-9(11)15(25)24-13-3-1-2-12(21)14(13)22/h1-6,10H,7,22H2,(H,23,26)(H,24,25)
InChIKeyVOCANWIYYCFLEA-UHFFFAOYSA-N
MW416.67 g/mol
LogP4.45
Rot. Bonds4

About N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide

N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (PubChem CID 166992601) has the molecular formula C17H13Cl3FN3O2 and a molecular weight of 416.67 g/mol. Its IUPAC name is N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
PubChem CID166992601
Molecular FormulaC17H13Cl3FN3O2
Molecular Weight416.67 g/mol
Exact Mass415.01
IUPAC NameN-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
SMILESNc1c(F)cccc1NC(=O)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl
InChIInChI=1S/C17H13Cl3FN3O2/c18-11-5-4-8(23-16(26)10-7-17(10,19)20)6-9(11)15(25)24-13-3-1-2-12(21)14(13)22/h1-6,10H,7,22H2,(H,23,26)(H,24,25)
InChIKeyVOCANWIYYCFLEA-UHFFFAOYSA-N
XLogP4.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.67
LogP ≤ 54.45
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-(5-acetamido-2,3,4-trifluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134417873
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 134418667
N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 138652651
2-chloro-N-[3-(2-chloropropanoylamino)-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988628
N-[3-[(2-bromo-2,2-difluoroacetyl)amino]-2,4-difluorophenyl]-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 134418265
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[3-fluoro-5-(methoxyamino)phenyl]benzamide
CID 138653570
2-chloro-N-[3-[(2-cyanoacetyl)-methylamino]-2,4-difluorophenyl]-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 166988637
N-(3-amino-2,4-difluorophenyl)-6-chloro-3-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorobenzamide
CID 166988621
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[2,2-dichloro-3-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418271
2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]-N-[2,4-difluoro-3-[(4,4,4-trifluoro-2-methylbutanoyl)amino]phenyl]benzamide
CID 138703133

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide (CID 166992601) is N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is Nc1c(F)cccc1NC(=O)c1cc(NC(=O)C2CC2(Cl)Cl)ccc1Cl.
What is the InChIKey of N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
The InChIKey is VOCANWIYYCFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3FN3O2/c18-11-5-4-8(23-16(26)10-7-17(10,19)20)6-9(11)15(25)24-13-3-1-2-12(21)14(13)22/h1-6,10H,7,22H2,(H,23,26)(H,24,25).
What are the key properties of N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide?
N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide has a molecular weight of 416.67 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-fluorophenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 166992601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).