2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

C19H14Cl5FN2O2 — CID 134418257

IUPAC2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1c(Cl)ccc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1Cl
InChIInChI=1S/C19H14Cl5FN2O2/c1-2-26-17(28)13-9(20)4-6-12(16(13)22)27-18(29)15-14(19(15,23)24)8-3-5-11(25)10(21)7-8/h3-7,14-15H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyCICJZTKUBVOSRA-UHFFFAOYSA-N
MW498.60 g/mol
LogP6.06
Rot. Bonds5

About 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide

2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (PubChem CID 134418257) has the molecular formula C19H14Cl5FN2O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
PubChem CID134418257
Molecular FormulaC19H14Cl5FN2O2
Molecular Weight498.60 g/mol
Exact Mass495.95
IUPAC Name2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1c(Cl)ccc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1Cl
InChIInChI=1S/C19H14Cl5FN2O2/c1-2-26-17(28)13-9(20)4-6-12(16(13)22)27-18(29)15-14(19(15,23)24)8-3-5-11(25)10(21)7-8/h3-7,14-15H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyCICJZTKUBVOSRA-UHFFFAOYSA-N
XLogP6.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 56.06
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

2,6-dichloro-3-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-fluoroethyl)benzamide
CID 140860305
2,6-dichloro-N-(3-chloropropyl)-3-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 140860308
3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide
CID 134418337
6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 134418681
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-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
N-(4-acetamidophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618862
2-chloro-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylphenyl)benzamide
CID 175133019
2-chloro-N-(3-chloro-2-methoxy-4-pyridinyl)-5-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619076
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-3-methylbenzamide
CID 140859561
N-(4-acetamido-2-fluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618387

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The IUPAC name of 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide (CID 134418257) is 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The canonical SMILES for 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is CCNC(=O)c1c(Cl)ccc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1Cl.
What is the InChIKey of 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
The InChIKey is CICJZTKUBVOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl5FN2O2/c1-2-26-17(28)13-9(20)4-6-12(16(13)22)27-18(29)15-14(19(15,23)24)8-3-5-11(25)10(21)7-8/h3-7,14-15H,2H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide?
2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide has a molecular weight of 498.60 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 134418257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).