methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate

C20H21FN2O4 — CID 113061898

IUPACmethyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(=O)Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H21FN2O4/c1-14(24)23(18-6-4-3-5-17(18)20(26)27-2)12-11-22-19(25)13-15-7-9-16(21)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyRTEQAYINVIUDOX-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.32
Rot. Bonds7

About methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate

methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate (PubChem CID 113061898) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate
PubChem CID113061898
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Namemethyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(CCNC(=O)Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H21FN2O4/c1-14(24)23(18-6-4-3-5-17(18)20(26)27-2)12-11-22-19(25)13-15-7-9-16(21)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,25)
InChIKeyRTEQAYINVIUDOX-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate 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

methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
methyl 2-[acetyl-[2-[[2-(3-methylphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061916
methyl 2-[acetyl-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131230
methyl 2-[acetyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176078
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902
methyl 2-[acetyl-[2-(3-phenoxypropanoylamino)ethyl]amino]benzoate
CID 113061903
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
methyl 2-[acetyl-[3-oxo-3-(3-phenylpropylamino)propyl]amino]benzoate
CID 113131252
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
methyl 2-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176131

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate (CID 113061898) is methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate is COC(=O)c1ccccc1N(CCNC(=O)Cc1ccc(F)cc1)C(C)=O.
What is the InChIKey of methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate?
The InChIKey is RTEQAYINVIUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-14(24)23(18-6-4-3-5-17(18)20(26)27-2)12-11-22-19(25)13-15-7-9-16(21)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,25).
What are the key properties of methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate?
methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate has a molecular weight of 372.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[acetyl-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]amino]benzoate is sourced from PubChem (CID 113061898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).