methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate

C19H18FNO5 — CID 8551955

IUPACmethyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO5/c1-25-19(24)14-5-9-16(10-6-14)21-17(22)12-26-18(23)11-4-13-2-7-15(20)8-3-13/h2-3,5-10H,4,11-12H2,1H3,(H,21,22)
InChIKeySMCUFJRCUWYDAT-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.73
Rot. Bonds7

About methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate

methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate (PubChem CID 8551955) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
PubChem CID8551955
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Namemethyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO5/c1-25-19(24)14-5-9-16(10-6-14)21-17(22)12-26-18(23)11-4-13-2-7-15(20)8-3-13/h2-3,5-10H,4,11-12H2,1H3,(H,21,22)
InChIKeySMCUFJRCUWYDAT-UHFFFAOYSA-N
XLogP2.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]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 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
methyl 4-[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate
CID 7764445
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)propanoate
CID 8551549
[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506747
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
methyl 4-[[2-[2-(4-chlorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7750430
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
3-O-[2-(4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860643
methyl 4-[[2-[2-(2-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7796353

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate (CID 8551955) is methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate?
The InChIKey is SMCUFJRCUWYDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-25-19(24)14-5-9-16(10-6-14)21-17(22)12-26-18(23)11-4-13-2-7-15(20)8-3-13/h2-3,5-10H,4,11-12H2,1H3,(H,21,22).
What are the key properties of methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate?
methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate has a molecular weight of 359.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[3-(4-fluorophenyl)propanoyloxy]acetyl]amino]benzoate is sourced from PubChem (CID 8551955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).