3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide

C16H24FN3O — CID 63314478

IUPAC3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCCN(C)C2CCCC2)cc1F
InChIInChI=1S/C16H24FN3O/c1-11-14(17)9-12(10-15(11)18)16(21)19-7-8-20(2)13-5-3-4-6-13/h9-10,13H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyLCWCJRWYAWPDGH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide

3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide (PubChem CID 63314478) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
PubChem CID63314478
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NCCN(C)C2CCCC2)cc1F
InChIInChI=1S/C16H24FN3O/c1-11-14(17)9-12(10-15(11)18)16(21)19-7-8-20(2)13-5-3-4-6-13/h9-10,13H,3-8,18H2,1-2H3,(H,19,21)
InChIKeyLCWCJRWYAWPDGH-UHFFFAOYSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79759421
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-fluoro-4-methylbenzamide
CID 61103510
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115597811
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide (CID 63314478) is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)NCCN(C)C2CCCC2)cc1F.
What is the InChIKey of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide?
The InChIKey is LCWCJRWYAWPDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-14(17)9-12(10-15(11)18)16(21)19-7-8-20(2)13-5-3-4-6-13/h9-10,13H,3-8,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide?
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide has a molecular weight of 293.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 63314478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).