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

C19H13Cl3F4N2O2 — CID 134418337

IUPAC3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide
SMILESO=C(NCCF)c1c(F)ccc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1F
InChIInChI=1S/C19H13Cl3F4N2O2/c20-9-7-8(1-2-10(9)24)14-15(19(14,21)22)18(30)28-12-4-3-11(25)13(16(12)26)17(29)27-6-5-23/h1-4,7,14-15H,5-6H2,(H,27,29)(H,28,30)
InChIKeyUWGXZOJFNOLPJD-UHFFFAOYSA-N
MW483.68 g/mol
LogP4.98
Rot. Bonds6

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

3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide (PubChem CID 134418337) has the molecular formula C19H13Cl3F4N2O2 and a molecular weight of 483.68 g/mol. Its IUPAC name is 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide
PubChem CID134418337
Molecular FormulaC19H13Cl3F4N2O2
Molecular Weight483.68 g/mol
Exact Mass482.00
IUPAC Name3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide
SMILESO=C(NCCF)c1c(F)ccc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1F
InChIInChI=1S/C19H13Cl3F4N2O2/c20-9-7-8(1-2-10(9)24)14-15(19(14,21)22)18(30)28-12-4-3-11(25)13(16(12)26)17(29)27-6-5-23/h1-4,7,14-15H,5-6H2,(H,27,29)(H,28,30)
InChIKeyUWGXZOJFNOLPJD-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 54.98
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
6-chloro-3-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-(2,4-difluorophenyl)-2-fluorobenzamide
CID 134418681
2,6-dichloro-3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 134418257
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-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-3-methylbenzamide
CID 140859561
2-chloro-N-[3-[(2-cyanoacetyl)amino]-2,4-difluorophenyl]-5-[[(3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418117
3-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2-fluoro-N-phenylbenzamide
CID 140860102
2-chloro-5-[[2,2-dichloro-3-(4-fluoro-3-methylphenyl)cyclopropanecarbonyl]amino]-N-propylbenzamide
CID 122632735
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122618900
N-(3-amino-2,4-difluorophenyl)-2-chloro-5-[[(3R)-2,2-dichloro-3-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 138652504

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide?
The IUPAC name of 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide (CID 134418337) is 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide.
What is the SMILES notation for 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide?
The canonical SMILES for 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide is O=C(NCCF)c1c(F)ccc(NC(=O)C2C(c3ccc(F)c(Cl)c3)C2(Cl)Cl)c1F.
What is the InChIKey of 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide?
The InChIKey is UWGXZOJFNOLPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3F4N2O2/c20-9-7-8(1-2-10(9)24)14-15(19(14,21)22)18(30)28-12-4-3-11(25)13(16(12)26)17(29)27-6-5-23/h1-4,7,14-15H,5-6H2,(H,27,29)(H,28,30).
What are the key properties of 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide?
3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide has a molecular weight of 483.68 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dichloro-3-(3-chloro-4-fluorophenyl)cyclopropanecarbonyl]amino]-2,6-difluoro-N-(2-fluoroethyl)benzamide is sourced from PubChem (CID 134418337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).