trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate

C20H12Cl5F3N2O4 — CID 161302764

IUPACtrifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)OC(F)(F)F
InChIInChI=1S/C20H12Cl5F3N2O4/c21-9-3-8(4-10(22)5-9)15-16(19(15,24)25)17(32)30-11-1-2-13(23)12(6-11)14(31)7-29-18(33)34-20(26,27)28/h1-6,15-16H,7H2,(H,29,33)(H,30,32)
InChIKeyVHVLOPHFPSSRBV-UHFFFAOYSA-N
MW578.59 g/mol
LogP6.60
Rot. Bonds6

About trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate

trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate (PubChem CID 161302764) has the molecular formula C20H12Cl5F3N2O4 and a molecular weight of 578.59 g/mol. Its IUPAC name is trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametrifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate
PubChem CID161302764
Molecular FormulaC20H12Cl5F3N2O4
Molecular Weight578.59 g/mol
Exact Mass575.92
IUPAC Nametrifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate
SMILESO=C(NCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)OC(F)(F)F
InChIInChI=1S/C20H12Cl5F3N2O4/c21-9-3-8(4-10(22)5-9)15-16(19(15,24)25)17(32)30-11-1-2-13(23)12(6-11)14(31)7-29-18(33)34-20(26,27)28/h1-6,15-16H,7H2,(H,29,33)(H,30,32)
InChIKeyVHVLOPHFPSSRBV-UHFFFAOYSA-N
XLogP6.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.59
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 122618471
2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147063227
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 122618630
2,2-dichloro-N-[4-chloro-3-[2-(1-cyanocyclopropyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 146795788
2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148562302
N-[3-(6-acetamidohexanoyl)-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 157325214
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-[3-oxo-3-(3,3,3-trifluoropropylamino)propyl]benzamide
CID 134418577
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-[2-[(4-fluorophenyl)methoxy]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 146783199
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-pentylbenzamide
CID 122622266

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate?
The IUPAC name of trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate (CID 161302764) is trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate.
What is the SMILES notation for trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate?
The canonical SMILES for trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate is O=C(NCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate?
The InChIKey is VHVLOPHFPSSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl5F3N2O4/c21-9-3-8(4-10(22)5-9)15-16(19(15,24)25)17(32)30-11-1-2-13(23)12(6-11)14(31)7-29-18(33)34-20(26,27)28/h1-6,15-16H,7H2,(H,29,33)(H,30,32).
What are the key properties of trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate?
trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate has a molecular weight of 578.59 g/mol, XLogP of 6.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]carbamate is sourced from PubChem (CID 161302764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).