[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate

C20H21FN2O4 — CID 108926954

IUPAC[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCCNC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C20H21FN2O4/c1-14(24)27-17-7-4-6-16(13-17)20(26)23-12-11-22-19(25)10-9-15-5-2-3-8-18(15)21/h2-8,13H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyIJKFUMPQFFDVTA-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.23
Rot. Bonds8

About [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate

[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate (PubChem CID 108926954) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
PubChem CID108926954
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)NCCNC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C20H21FN2O4/c1-14(24)27-17-7-4-6-16(13-17)20(26)23-12-11-22-19(25)10-9-15-5-2-3-8-18(15)21/h2-8,13H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyIJKFUMPQFFDVTA-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-[3-(2-chlorophenyl)propanoylamino]propylcarbamoyl]phenyl] acetate
CID 108929475
[3-[2-[3-(4-methylphenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108537502
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
[3-[2-[[2-(2-bromophenyl)acetyl]amino]ethylcarbamoyl]phenyl] acetate
CID 108926944
[3-(3-oxobutylcarbamoyl)phenyl] acetate
CID 142810993
[3-[4-[[3-(2-fluorophenyl)propanoylamino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927294
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
[3-[[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927714
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
[3-[3-[3-(3,4-dimethoxyphenyl)propanoylamino]propylcarbamoyl]phenyl] acetate
CID 108929432
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate
CID 86812608

Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate (CID 108926954) is [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)NCCNC(=O)CCc2ccccc2F)c1.
What is the InChIKey of [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate?
The InChIKey is IJKFUMPQFFDVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-14(24)27-17-7-4-6-16(13-17)20(26)23-12-11-22-19(25)10-9-15-5-2-3-8-18(15)21/h2-8,13H,9-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate?
[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate has a molecular weight of 372.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108926954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).