[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate

C24H21FN2O4 — CID 108927732

IUPAC[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccc(NC(=O)CCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C24H21FN2O4/c1-16(28)31-22-7-3-5-18(15-22)24(30)27-21-11-9-20(10-12-21)26-23(29)13-8-17-4-2-6-19(25)14-17/h2-7,9-12,14-15H,8,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyHAEPVYHOMNSKBD-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.57
Rot. Bonds7

About [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate

[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927732) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
PubChem CID108927732
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Name[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2ccc(NC(=O)CCc3cccc(F)c3)cc2)c1
InChIInChI=1S/C24H21FN2O4/c1-16(28)31-22-7-3-5-18(15-22)24(30)27-21-11-9-20(10-12-21)26-23(29)13-8-17-4-2-6-19(25)14-17/h2-7,9-12,14-15H,8,13H2,1H3,(H,26,29)(H,27,30)
InChIKeyHAEPVYHOMNSKBD-UHFFFAOYSA-N
XLogP4.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] 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

[3-[[3-(3-phenylpropanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927865
[3-[[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927597
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
[3-[[3-[[3-(4-fluorophenyl)propanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929247
[3-[[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927930
[3-[[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927714
[3-[[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927723
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
[3-[[2-[3-(3-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108928122
(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
CID 34465464
[3-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927655
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate (CID 108927732) is [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2ccc(NC(=O)CCc3cccc(F)c3)cc2)c1.
What is the InChIKey of [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
The InChIKey is HAEPVYHOMNSKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-16(28)31-22-7-3-5-18(15-22)24(30)27-21-11-9-20(10-12-21)26-23(29)13-8-17-4-2-6-19(25)14-17/h2-7,9-12,14-15H,8,13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate?
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate has a molecular weight of 420.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).