[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

C21H22FNO3 — CID 7455322

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FNO3/c22-18-10-8-16(9-11-18)14-23-19(24)15-26-20(25)21(12-4-5-13-21)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15H2,(H,23,24)
InChIKeyRXADMVUFNZKYJP-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.50
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 7455322) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID7455322
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2)CCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H22FNO3/c22-18-10-8-16(9-11-18)14-23-19(24)15-26-20(25)21(12-4-5-13-21)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15H2,(H,23,24)
InChIKeyRXADMVUFNZKYJP-UHFFFAOYSA-N
XLogP3.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526166
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46790790
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611557
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455330
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7811663
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588308
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8610838

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (CID 7455322) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2)CCCC1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is RXADMVUFNZKYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c22-18-10-8-16(9-11-18)14-23-19(24)15-26-20(25)21(12-4-5-13-21)17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-15H2,(H,23,24).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 355.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 7455322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).