2-amino-3-fluoro-N-propan-2-ylbenzamide

C10H13FN2O — CID 62648902

IUPAC2-amino-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C10H13FN2O/c1-6(2)13-10(14)7-4-3-5-8(11)9(7)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyZKRPXPYALWPKQT-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.55
Rot. Bonds2

About 2-amino-3-fluoro-N-propan-2-ylbenzamide

2-amino-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 62648902) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-propan-2-ylbenzamide
PubChem CID62648902
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name2-amino-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C10H13FN2O/c1-6(2)13-10(14)7-4-3-5-8(11)9(7)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyZKRPXPYALWPKQT-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518
2-amino-N-[1-(dimethylamino)propan-2-yl]-3-fluorobenzamide
CID 82938061
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-amino-3-[2-amino-3-(propan-2-ylcarbamoyl)phenyl]benzoic acid
CID 141245563
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
CID 83021184
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
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-3-fluoro-N-propan-2-ylbenzamide (CID 62648902) is 2-amino-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-3-fluoro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is ZKRPXPYALWPKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-6(2)13-10(14)7-4-3-5-8(11)9(7)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-fluoro-N-propan-2-ylbenzamide?
2-amino-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 196.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 62648902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).