ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate

C15H18FNO4 — CID 65434241

IUPACethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(F)cccc1OC)C1CC1
InChIInChI=1S/C15H18FNO4/c1-3-21-13(18)9-17(10-7-8-10)15(19)14-11(16)5-4-6-12(14)20-2/h4-6,10H,3,7-9H2,1-2H3
InChIKeyWKERNEJMLXDUIT-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.00
Rot. Bonds6

About ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate

ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate (PubChem CID 65434241) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
PubChem CID65434241
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1c(F)cccc1OC)C1CC1
InChIInChI=1S/C15H18FNO4/c1-3-21-13(18)9-17(10-7-8-10)15(19)14-11(16)5-4-6-12(14)20-2/h4-6,10H,3,7-9H2,1-2H3
InChIKeyWKERNEJMLXDUIT-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
CID 67112522
ethyl 2-[(3-chloro-2-fluorobenzoyl)-cyclopropylamino]acetate
CID 80977006
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
CID 78987795
ethyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]-cyclopropylamino]acetate
CID 61410393
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
ethyl 2-(N-cyclopropyl-3-fluoro-2-nitroanilino)acetate
CID 62007053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate (CID 65434241) is ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1c(F)cccc1OC)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate?
The InChIKey is WKERNEJMLXDUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-3-21-13(18)9-17(10-7-8-10)15(19)14-11(16)5-4-6-12(14)20-2/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate?
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate has a molecular weight of 295.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 65434241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).