(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C20H20FNO3 — CID 7866420

IUPAC(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccccc1
InChIInChI=1S/C20H20FNO3/c21-16-10-8-15(9-11-16)20(12-4-5-13-20)19(24)25-14-18(23)22-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2,(H,22,23)
InChIKeyBEGQJPHDAUBPDQ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.82
Rot. Bonds5

About (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate

(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 7866420) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID7866420
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccccc1
InChIInChI=1S/C20H20FNO3/c21-16-10-8-15(9-11-16)20(12-4-5-13-20)19(24)25-14-18(23)22-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2,(H,22,23)
InChIKeyBEGQJPHDAUBPDQ-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-(4-tert-butylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2422072
[2-(4-acetylanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2417695
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2352376
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2355135
[2-(3-cyanoanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866415
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CID 55532301
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866426
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455322

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 7866420) is (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is BEGQJPHDAUBPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-16-10-8-15(9-11-16)20(12-4-5-13-20)19(24)25-14-18(23)22-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2,(H,22,23).
What are the key properties of (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 341.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 7866420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).