2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide

C14H20FN3O — CID 107347341

IUPAC2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1F)C1CCCC1
InChIInChI=1S/C14H20FN3O/c15-14-10(4-3-7-12(14)16)8-18(9-13(17)19)11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,8-9,16H2,(H2,17,19)
InChIKeyVPUAJBRKNQGJSH-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.64
Rot. Bonds5

About 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide

2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide (PubChem CID 107347341) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
PubChem CID107347341
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1F)C1CCCC1
InChIInChI=1S/C14H20FN3O/c15-14-10(4-3-7-12(14)16)8-18(9-13(17)19)11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,8-9,16H2,(H2,17,19)
InChIKeyVPUAJBRKNQGJSH-UHFFFAOYSA-N
XLogP1.64
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.64
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-[[cyclopropyl(ethyl)amino]methyl]-2-fluoroaniline
CID 107347213
2-[cyclopentyl(1H-indol-4-ylmethyl)amino]acetamide
CID 84593179
2-[(3-cyano-2-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 107118948
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
CID 103887261
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopentylacetamide
CID 43461001
2-[cyclopentyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]ethanethioamide
CID 104792163
3-[[(2-amino-2-oxoethyl)-cyclopentylamino]methyl]furan-2-carboxylic acid
CID 54988944
3-[(3-amino-2-fluorophenyl)methyl-cyclopropylamino]propanenitrile
CID 107347349
2-[cyclopentyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 82973746
2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide (CID 107347341) is 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide is NC(=O)CN(Cc1cccc(N)c1F)C1CCCC1.
What is the InChIKey of 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide?
The InChIKey is VPUAJBRKNQGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-14-10(4-3-7-12(14)16)8-18(9-13(17)19)11-5-1-2-6-11/h3-4,7,11H,1-2,5-6,8-9,16H2,(H2,17,19).
What are the key properties of 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide?
2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide has a molecular weight of 265.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-fluorophenyl)methyl-cyclopentylamino]acetamide is sourced from PubChem (CID 107347341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).