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

C20H23FN2O3 — CID 71888068

IUPAC[2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C20H23FN2O3/c1-23-12-4-5-17(23)19(25)26-13-18(24)22-14-20(10-2-3-11-20)15-6-8-16(21)9-7-15/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,24)
InChIKeyMFAYTOKGNNTIMK-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.95
Rot. Bonds6

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

[2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 71888068) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID71888068
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NCC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C20H23FN2O3/c1-23-12-4-5-17(23)19(25)26-13-18(24)22-14-20(10-2-3-11-20)15-6-8-16(21)9-7-15/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,24)
InChIKeyMFAYTOKGNNTIMK-UHFFFAOYSA-N
XLogP2.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 5024305
2-(cyclopropylmethylamino)-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119731159
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(2-methylphenoxy)acetamide
CID 42266086
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 60515016
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647715
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 71888068) is [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)NCC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is MFAYTOKGNNTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-23-12-4-5-17(23)19(25)26-13-18(24)22-14-20(10-2-3-11-20)15-6-8-16(21)9-7-15/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 358.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(4-fluorophenyl)cyclopentyl]methylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 71888068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).