5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide

C19H13Cl4F3N2O2 — CID 122621464

IUPAC5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1C(F)(F)F
InChIInChI=1S/C19H13Cl4F3N2O2/c1-27-16(29)12-7-11(2-3-13(12)19(24,25)26)28-17(30)15-14(18(15,22)23)8-4-9(20)6-10(21)5-8/h2-7,14-15H,1H3,(H,27,29)(H,28,30)
InChIKeyIBPPICJUVPSGMC-UHFFFAOYSA-N
MW500.13 g/mol
LogP5.90
Rot. Bonds4

About 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide

5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 122621464) has the molecular formula C19H13Cl4F3N2O2 and a molecular weight of 500.13 g/mol. Its IUPAC name is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID122621464
Molecular FormulaC19H13Cl4F3N2O2
Molecular Weight500.13 g/mol
Exact Mass497.97
IUPAC Name5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1C(F)(F)F
InChIInChI=1S/C19H13Cl4F3N2O2/c1-27-16(29)12-7-11(2-3-13(12)19(24,25)26)28-17(30)15-14(18(15,22)23)8-4-9(20)6-10(21)5-8/h2-7,14-15H,1H3,(H,27,29)(H,28,30)
InChIKeyIBPPICJUVPSGMC-UHFFFAOYSA-N
XLogP5.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.13
LogP ≤ 55.90
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-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 122619293
2,2-dichloro-N-[4-chloro-3-[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 153124600
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 122618630
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 162614076
2,2-dichloro-N-[4-chloro-3-[[methyl-(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 134418022
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 122618471
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
CID 122618951
2-chloro-N-(4-chloro-3-hydroxyphenyl)-5-[[(3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 146269473
2-chloro-5-[[(1R,3R)-2,2-dichloro-3-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)benzamide
CID 122617589
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[2-(trifluoromethyl)-1H-indol-5-yl]benzamide
CID 122619411
trans-(1R,3R)-2,2-dichloro-N-[4-chloro-3-[[methyl(3,3,3-trifluoropropanoyl)amino]carbamoyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 140859627

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide (CID 122621464) is 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide is CNC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is IBPPICJUVPSGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl4F3N2O2/c1-27-16(29)12-7-11(2-3-13(12)19(24,25)26)28-17(30)15-14(18(15,22)23)8-4-9(20)6-10(21)5-8/h2-7,14-15H,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide?
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 500.13 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122621464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).