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

C20H20FNO3 — CID 2352376

IUPAC(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccccc1
InChIInChI=1S/C20H20FNO3/c21-17-11-5-4-10-16(17)20(12-6-7-13-20)19(24)25-14-18(23)22-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,22,23)
InChIKeyHCLCHSZXHNTWKO-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.82
Rot. Bonds5

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

(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2352376) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2352376
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccccc1
InChIInChI=1S/C20H20FNO3/c21-17-11-5-4-10-16(17)20(12-6-7-13-20)19(24)25-14-18(23)22-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,22,23)
InChIKeyHCLCHSZXHNTWKO-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-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2353380
[2-(4-nitroanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661574
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548
[2-(2,5-dimethylanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661547
[2-(cycloheptylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23932612
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 16526158
[2-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661544

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2352376) is (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is HCLCHSZXHNTWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-17-11-5-4-10-16(17)20(12-6-7-13-20)19(24)25-14-18(23)22-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,22,23).
What are the key properties of (2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
(2-anilino-2-oxoethyl) 1-(2-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-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2352376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).