ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate

C19H18FNO4 — CID 21463059

IUPACethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-3-25-17(22)12-21(2)19(24)16-7-5-4-6-15(16)18(23)13-8-10-14(20)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyXLCSQJXAHVAYRQ-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate

ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate (PubChem CID 21463059) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
PubChem CID21463059
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Nameethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c1-3-25-17(22)12-21(2)19(24)16-7-5-4-6-15(16)18(23)13-8-10-14(20)11-9-13/h4-11H,3,12H2,1-2H3
InChIKeyXLCSQJXAHVAYRQ-UHFFFAOYSA-N
XLogP2.69
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]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

ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
ethyl 2-[[2-(3,5-ditert-butyl-4-hydroxybenzoyl)benzoyl]-methylamino]acetate
CID 19090544
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785153
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
propyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711904
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976
ethyl 2-[(2-fluoro-4-hydroxybenzoyl)-methylamino]acetate
CID 113355630

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate (CID 21463059) is ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate?
The InChIKey is XLCSQJXAHVAYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-3-25-17(22)12-21(2)19(24)16-7-5-4-6-15(16)18(23)13-8-10-14(20)11-9-13/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate?
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate has a molecular weight of 343.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate is sourced from PubChem (CID 21463059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).