N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide

C14H20FN3O — CID 55257085

IUPACN-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
SMILESCC1CC1CN(C)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H20FN3O/c1-9-5-10(9)7-18(2)8-14(19)17-13-6-11(16)3-4-12(13)15/h3-4,6,9-10H,5,7-8,16H2,1-2H3,(H,17,19)
InChIKeyXKOQKFHLCBIYOB-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.93
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide

N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide (PubChem CID 55257085) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
PubChem CID55257085
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
SMILESCC1CC1CN(C)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H20FN3O/c1-9-5-10(9)7-18(2)8-14(19)17-13-6-11(16)3-4-12(13)15/h3-4,6,9-10H,5,7-8,16H2,1-2H3,(H,17,19)
InChIKeyXKOQKFHLCBIYOB-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 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 ≤ 51.93
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

2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426513
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63878531
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
CID 78973770
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
4-fluoro-3-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63859708

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide (CID 55257085) is N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide is CC1CC1CN(C)CC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide?
The InChIKey is XKOQKFHLCBIYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9-5-10(9)7-18(2)8-14(19)17-13-6-11(16)3-4-12(13)15/h3-4,6,9-10H,5,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide?
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide has a molecular weight of 265.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide is sourced from PubChem (CID 55257085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).