2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide

C15H23FN4O — CID 79309783

IUPAC2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
SMILESCCN1CCCC1CN(C)c1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C15H23FN4O/c1-3-20-6-4-5-10(20)9-19(2)14-7-11(15(18)21)13(17)8-12(14)16/h7-8,10H,3-6,9,17H2,1-2H3,(H2,18,21)
InChIKeyREROTWYEZVYLNM-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide

2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide (PubChem CID 79309783) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
PubChem CID79309783
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
SMILESCCN1CCCC1CN(C)c1cc(C(N)=O)c(N)cc1F
InChIInChI=1S/C15H23FN4O/c1-3-20-6-4-5-10(20)9-19(2)14-7-11(15(18)21)13(17)8-12(14)16/h7-8,10H,3-6,9,17H2,1-2H3,(H2,18,21)
InChIKeyREROTWYEZVYLNM-UHFFFAOYSA-N
XLogP1.43
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79312535
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]methanol
CID 79319283
2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid
CID 55250037
1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 79318550
4-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylaniline
CID 79318756
1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747884
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309720
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
2-amino-4-fluoro-5-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 79386344

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide?
The IUPAC name of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide (CID 79309783) is 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide is CCN1CCCC1CN(C)c1cc(C(N)=O)c(N)cc1F.
What is the InChIKey of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide?
The InChIKey is REROTWYEZVYLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-3-20-6-4-5-10(20)9-19(2)14-7-11(15(18)21)13(17)8-12(14)16/h7-8,10H,3-6,9,17H2,1-2H3,(H2,18,21).
What are the key properties of 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide?
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide has a molecular weight of 294.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide is sourced from PubChem (CID 79309783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).