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

C19H18FNO3 — CID 110428357

IUPACethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H18FNO3/c1-2-24-17(22)13-7-3-6-10-16(13)21-18(23)19(11-12-19)14-8-4-5-9-15(14)20/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyOJBMEPGWGKLJOD-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.67
Rot. Bonds5

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

ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 110428357) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID110428357
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Nameethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H18FNO3/c1-2-24-17(22)13-7-3-6-10-16(13)21-18(23)19(11-12-19)14-8-4-5-9-15(14)20/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyOJBMEPGWGKLJOD-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982356
ethyl 2-[[1-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983850
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 110485221
ethyl 2-[[1-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983851
ethyl 2-(propanoylamino)benzoate
CID 4190428
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
ethyl 2-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79854988
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate (CID 110428357) is ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1(c2ccccc2F)CC1.
What is the InChIKey of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is OJBMEPGWGKLJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-2-24-17(22)13-7-3-6-10-16(13)21-18(23)19(11-12-19)14-8-4-5-9-15(14)20/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate?
ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 327.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 110428357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).