ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C20H18F2N2O4 — CID 109144216

IUPACethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H18F2N2O4/c1-2-28-20(27)11-6-3-4-9-16(11)23-18(25)12-10-13(12)19(26)24-17-14(21)7-5-8-15(17)22/h3-9,12-13H,2,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyJOBVAPYZLOLLNW-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.35
Rot. Bonds6

About ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109144216) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109144216
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Nameethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H18F2N2O4/c1-2-28-20(27)11-6-3-4-9-16(11)23-18(25)12-10-13(12)19(26)24-17-14(21)7-5-8-15(17)22/h3-9,12-13H,2,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyJOBVAPYZLOLLNW-UHFFFAOYSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-[(2,3-dimethylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109141974
ethyl 2-[[2-(propylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109130606
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
ethyl 2-[[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109131782
ethyl 2-[[1-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983850
trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
CID 178138593
ethyl 2-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143813
ethyl 2-[[2-(azepane-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140775
ethyl 2-[[(1R,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 6952567
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144245
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109144216) is ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CC1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is JOBVAPYZLOLLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c1-2-28-20(27)11-6-3-4-9-16(11)23-18(25)12-10-13(12)19(26)24-17-14(21)7-5-8-15(17)22/h3-9,12-13H,2,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 388.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109144216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).