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

CID 94411
CID 94411
CID 713136
CID 713136
CID 2797236
CID 2797236
CID 101222
CID 101222
CID 118553
CID 118553
CID 308072
CID 308072
CID 10104045
CID 10104045
CID 335067
CID 335067
CID 579553
CID 579553
CID 10858497
CID 10858497
CID 658990
CID 658990
CID 1653335
CID 1653335

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).