N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide

C15H22FN3O2 — CID 114948097

IUPACN-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(N)ccc1F)CC1(O)CCCC1
InChIInChI=1S/C15H22FN3O2/c1-19(10-15(21)6-2-3-7-15)9-14(20)18-13-8-11(17)4-5-12(13)16/h4-5,8,21H,2-3,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyWFEQXBFVYAAGRB-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.58
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide

N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide (PubChem CID 114948097) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
PubChem CID114948097
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(N)ccc1F)CC1(O)CCCC1
InChIInChI=1S/C15H22FN3O2/c1-19(10-15(21)6-2-3-7-15)9-14(20)18-13-8-11(17)4-5-12(13)16/h4-5,8,21H,2-3,6-7,9-10,17H2,1H3,(H,18,20)
InChIKeyWFEQXBFVYAAGRB-UHFFFAOYSA-N
XLogP1.58
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948014
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
CID 55257085
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426513
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
N-(2-aminophenyl)-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 114948159
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
CID 78973770
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 114948280
4-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzenesulfonamide
CID 114947090

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide (CID 114948097) is N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1cc(N)ccc1F)CC1(O)CCCC1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
The InChIKey is WFEQXBFVYAAGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-19(10-15(21)6-2-3-7-15)9-14(20)18-13-8-11(17)4-5-12(13)16/h4-5,8,21H,2-3,6-7,9-10,17H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide?
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide is sourced from PubChem (CID 114948097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).