methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate

C23H24FNO4 — CID 71958472

IUPACmethyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
SMILESCCOc1ccccc1C(=O)NC1C=CC(C(C(=O)OC)c2ccccc2F)C1
InChIInChI=1S/C23H24FNO4/c1-3-29-20-11-7-5-9-18(20)22(26)25-16-13-12-15(14-16)21(23(27)28-2)17-8-4-6-10-19(17)24/h4-13,15-16,21H,3,14H2,1-2H3,(H,25,26)
InChIKeyAOBKZYKDJHFHRZ-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.86
Rot. Bonds7

About methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate

methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate (PubChem CID 71958472) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
PubChem CID71958472
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Namemethyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate
SMILESCCOc1ccccc1C(=O)NC1C=CC(C(C(=O)OC)c2ccccc2F)C1
InChIInChI=1S/C23H24FNO4/c1-3-29-20-11-7-5-9-18(20)22(26)25-16-13-12-15(14-16)21(23(27)28-2)17-8-4-6-10-19(17)24/h4-13,15-16,21H,3,14H2,1-2H3,(H,25,26)
InChIKeyAOBKZYKDJHFHRZ-UHFFFAOYSA-N
XLogP3.86
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
The IUPAC name of methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate (CID 71958472) is methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
The canonical SMILES for methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate is CCOc1ccccc1C(=O)NC1C=CC(C(C(=O)OC)c2ccccc2F)C1.
What is the InChIKey of methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
The InChIKey is AOBKZYKDJHFHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-3-29-20-11-7-5-9-18(20)22(26)25-16-13-12-15(14-16)21(23(27)28-2)17-8-4-6-10-19(17)24/h4-13,15-16,21H,3,14H2,1-2H3,(H,25,26).
What are the key properties of methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate?
methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate has a molecular weight of 397.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-ethoxybenzoyl)amino]cyclopent-2-en-1-yl]-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 71958472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).