2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide

C12H16FN3O2 — CID 106276529

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
SMILESCC(C)(CNC(=O)c1cccc(F)c1N)C(N)=O
InChIInChI=1S/C12H16FN3O2/c1-12(2,11(15)18)6-16-10(17)7-4-3-5-8(13)9(7)14/h3-5H,6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyQYIOYZFEEZKLIZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.65
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide (PubChem CID 106276529) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
PubChem CID106276529
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
SMILESCC(C)(CNC(=O)c1cccc(F)c1N)C(N)=O
InChIInChI=1S/C12H16FN3O2/c1-12(2,11(15)18)6-16-10(17)7-4-3-5-8(13)9(7)14/h3-5H,6,14H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyQYIOYZFEEZKLIZ-UHFFFAOYSA-N
XLogP0.65
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588
2-amino-3-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182709
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-hydroxybenzamide
CID 106274538
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide
CID 106280114
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide (CID 106276529) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide is CC(C)(CNC(=O)c1cccc(F)c1N)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide?
The InChIKey is QYIOYZFEEZKLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-12(2,11(15)18)6-16-10(17)7-4-3-5-8(13)9(7)14/h3-5H,6,14H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide has a molecular weight of 253.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide is sourced from PubChem (CID 106276529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).