1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide

C16H24FN3O — CID 79572541

IUPAC1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide
SMILESCCN(CCC1CCCC1(N)C(N)=O)c1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-2-20(14-8-4-3-7-13(14)17)11-9-12-6-5-10-16(12,19)15(18)21/h3-4,7-8,12H,2,5-6,9-11,19H2,1H3,(H2,18,21)
InChIKeyLCIVBSHPXPYOOI-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.03
Rot. Bonds6

About 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide

1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide (PubChem CID 79572541) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide
PubChem CID79572541
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide
SMILESCCN(CCC1CCCC1(N)C(N)=O)c1ccccc1F
InChIInChI=1S/C16H24FN3O/c1-2-20(14-8-4-3-7-13(14)17)11-9-12-6-5-10-16(12,19)15(18)21/h3-4,7-8,12H,2,5-6,9-11,19H2,1H3,(H2,18,21)
InChIKeyLCIVBSHPXPYOOI-UHFFFAOYSA-N
XLogP2.03
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide (CID 79572541) is 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide is CCN(CCC1CCCC1(N)C(N)=O)c1ccccc1F.
What is the InChIKey of 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide?
The InChIKey is LCIVBSHPXPYOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-20(14-8-4-3-7-13(14)17)11-9-12-6-5-10-16(12,19)15(18)21/h3-4,7-8,12H,2,5-6,9-11,19H2,1H3,(H2,18,21).
What are the key properties of 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide?
1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(N-ethyl-2-fluoroanilino)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79572541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).