2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide

C10H12FN3O2 — CID 62661518

IUPAC2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
SMILESCC(NC(=O)c1cccc(F)c1N)C(N)=O
InChIInChI=1S/C10H12FN3O2/c1-5(9(13)15)14-10(16)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyVPRGAYLBTZURBD-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.01
Rot. Bonds3

About 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide

2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide (PubChem CID 62661518) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
PubChem CID62661518
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
SMILESCC(NC(=O)c1cccc(F)c1N)C(N)=O
InChIInChI=1S/C10H12FN3O2/c1-5(9(13)15)14-10(16)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyVPRGAYLBTZURBD-UHFFFAOYSA-N
XLogP0.01
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996630
2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
2-amino-3-fluoro-N-methylsulfonylbenzamide
CID 103287711
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
CID 171390393
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-chloro-4,5-difluorobenzamide
CID 75500408
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide (CID 62661518) is 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide is CC(NC(=O)c1cccc(F)c1N)C(N)=O.
What is the InChIKey of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide?
The InChIKey is VPRGAYLBTZURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-5(9(13)15)14-10(16)6-3-2-4-7(11)8(6)12/h2-5H,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide?
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide has a molecular weight of 225.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 62661518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).