ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate

C14H17F2NO4 — CID 60620709

IUPACethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO4/c1-3-21-12(18)9-17(7-8-20-2)14(19)10-5-4-6-11(15)13(10)16/h4-6H,3,7-9H2,1-2H3
InChIKeyTYRRTTLTIABDQK-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.62
Rot. Bonds7

About ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate (PubChem CID 60620709) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
PubChem CID60620709
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Nameethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO4/c1-3-21-12(18)9-17(7-8-20-2)14(19)10-5-4-6-11(15)13(10)16/h4-6H,3,7-9H2,1-2H3
InChIKeyTYRRTTLTIABDQK-UHFFFAOYSA-N
XLogP1.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60958970
ethyl 2-[(6-fluoropyridine-2-carbonyl)-(2-methoxyethyl)amino]acetate
CID 115497491
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate (CID 60620709) is ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1cccc(F)c1F.
What is the InChIKey of ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is TYRRTTLTIABDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-3-21-12(18)9-17(7-8-20-2)14(19)10-5-4-6-11(15)13(10)16/h4-6H,3,7-9H2,1-2H3.
What are the key properties of ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 301.29 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 60620709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).