ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C20H19FN2O4 — CID 108982356

IUPACethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C20H19FN2O4/c1-2-27-17(24)13-7-3-5-9-15(13)22-18(25)20(11-12-20)19(26)23-16-10-6-4-8-14(16)21/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyCZQUMCPOLYJXMQ-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.36
Rot. Bonds6

About ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 108982356) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID108982356
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Nameethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C20H19FN2O4/c1-2-27-17(24)13-7-3-5-9-15(13)22-18(25)20(11-12-20)19(26)23-16-10-6-4-8-14(16)21/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyCZQUMCPOLYJXMQ-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[1-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983850
ethyl 2-[[1-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983851
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110428357
ethyl 2-[[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108977072
ethyl 2-[[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108976392
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108973205
1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971473
ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
CID 43322204
1-N',1-N'-diethyl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979078
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 108982356) is ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is CZQUMCPOLYJXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-2-27-17(24)13-7-3-5-9-15(13)22-18(25)20(11-12-20)19(26)23-16-10-6-4-8-14(16)21/h3-10H,2,11-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 370.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 108982356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).