2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide

C15H22FN3O — CID 79522956

IUPAC2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
SMILESCCN(c1cccc(F)c1C(N)=O)C1CCCC1CN
InChIInChI=1S/C15H22FN3O/c1-2-19(12-7-3-5-10(12)9-17)13-8-4-6-11(16)14(13)15(18)20/h4,6,8,10,12H,2-3,5,7,9,17H2,1H3,(H2,18,20)
InChIKeyKLGSENKGMOLXQO-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.88
Rot. Bonds5

About 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide

2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide (PubChem CID 79522956) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
PubChem CID79522956
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
SMILESCCN(c1cccc(F)c1C(N)=O)C1CCCC1CN
InChIInChI=1S/C15H22FN3O/c1-2-19(12-7-3-5-10(12)9-17)13-8-4-6-11(16)14(13)15(18)20/h4,6,8,10,12H,2-3,5,7,9,17H2,1H3,(H2,18,20)
InChIKeyKLGSENKGMOLXQO-UHFFFAOYSA-N
XLogP1.88
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide (CID 79522956) is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide is CCN(c1cccc(F)c1C(N)=O)C1CCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide?
The InChIKey is KLGSENKGMOLXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-19(12-7-3-5-10(12)9-17)13-8-4-6-11(16)14(13)15(18)20/h4,6,8,10,12H,2-3,5,7,9,17H2,1H3,(H2,18,20).
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide?
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide is sourced from PubChem (CID 79522956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).