2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C19H12Cl3F5N2O2 — CID 122622200

IUPAC2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cc(NC(=O)C2C(c3cc(F)cc(F)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C19H12Cl3F5N2O2/c20-13-2-1-11(6-12(13)16(30)28-7-18(25,26)27)29-17(31)15-14(19(15,21)22)8-3-9(23)5-10(24)4-8/h1-6,14-15H,7H2,(H,28,30)(H,29,31)
InChIKeyQSPYQVHRIOZIBV-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.44
Rot. Bonds5

About 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 122622200) has the molecular formula C19H12Cl3F5N2O2 and a molecular weight of 501.67 g/mol. Its IUPAC name is 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID122622200
Molecular FormulaC19H12Cl3F5N2O2
Molecular Weight501.67 g/mol
Exact Mass499.99
IUPAC Name2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cc(NC(=O)C2C(c3cc(F)cc(F)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C19H12Cl3F5N2O2/c20-13-2-1-11(6-12(13)16(30)28-7-18(25,26)27)29-17(31)15-14(19(15,21)22)8-3-9(23)5-10(24)4-8/h1-6,14-15H,7H2,(H,28,30)(H,29,31)
InChIKeyQSPYQVHRIOZIBV-UHFFFAOYSA-N
XLogP5.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(2,3,4,5,6-pentafluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 140859650
2-chloro-5-[[2,2-dichloro-3-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122621045
2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122632736
2-chloro-5-[[2,2-dichloro-3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122621042
2-chloro-5-[[2,2-dichloro-3-(3,4-dibromophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122621248
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[4-fluoro-3-methyl-5-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 140859623
2-chloro-5-[[2,2-dichloro-3-[3-chloro-4-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 122621627
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 162614076
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(3,3,3-trifluoropropyl)benzamide
CID 122621222
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(3,3,3-trifluoropropyl)benzamide
CID 122621220
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide
CID 134418577
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4,6-trifluorophenyl)benzamide
CID 122617537

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 122622200) is 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cc(NC(=O)C2C(c3cc(F)cc(F)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QSPYQVHRIOZIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3F5N2O2/c20-13-2-1-11(6-12(13)16(30)28-7-18(25,26)27)29-17(31)15-14(19(15,21)22)8-3-9(23)5-10(24)4-8/h1-6,14-15H,7H2,(H,28,30)(H,29,31).
What are the key properties of 2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-5-[[2,2-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 501.67 g/mol, XLogP of 5.44, 5 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-dichloro-3-(3,5-difluorophenyl)cyclopropanecarbonyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 122622200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).