[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

C20H19FINO3 — CID 2353380

IUPAC[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(I)cc1
InChIInChI=1S/C20H19FINO3/c21-17-6-2-1-5-16(17)20(11-3-4-12-20)19(25)26-13-18(24)23-15-9-7-14(22)8-10-15/h1-2,5-10H,3-4,11-13H2,(H,23,24)
InChIKeyXPNFHMTVZSMEFG-UHFFFAOYSA-N
MW467.28 g/mol
LogP4.42
Rot. Bonds5

About [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate

[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 2353380) has the molecular formula C20H19FINO3 and a molecular weight of 467.28 g/mol. Its IUPAC name is [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID2353380
Molecular FormulaC20H19FINO3
Molecular Weight467.28 g/mol
Exact Mass467.04
IUPAC Name[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
SMILESO=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(I)cc1
InChIInChI=1S/C20H19FINO3/c21-17-6-2-1-5-16(17)20(11-3-4-12-20)19(25)26-13-18(24)23-15-9-7-14(22)8-10-15/h1-2,5-10H,3-4,11-13H2,(H,23,24)
InChIKeyXPNFHMTVZSMEFG-UHFFFAOYSA-N
XLogP4.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-anilino-2-oxoethyl) 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 2352376
[2-(4-nitroanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661574
[2-(cyclopentylamino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 8661548
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[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-(4-chloroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2336023
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 16526158
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[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
[2-(2-bromophenyl)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate
CID 23853345

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate (CID 2353380) is [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccc(I)cc1.
What is the InChIKey of [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is XPNFHMTVZSMEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FINO3/c21-17-6-2-1-5-16(17)20(11-3-4-12-20)19(25)26-13-18(24)23-15-9-7-14(22)8-10-15/h1-2,5-10H,3-4,11-13H2,(H,23,24).
What are the key properties of [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate?
[2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 467.28 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodoanilino)-2-oxoethyl] 1-(2-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 2353380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).