N-(2-amino-6-fluorophenyl)-2-methylbutanamide

C11H15FN2O — CID 81314159

IUPACN-(2-amino-6-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(N)cccc1F
InChIInChI=1S/C11H15FN2O/c1-3-7(2)11(15)14-10-8(12)5-4-6-9(10)13/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyFWEDLQXJDCFMQJ-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.39
Rot. Bonds3

About N-(2-amino-6-fluorophenyl)-2-methylbutanamide

N-(2-amino-6-fluorophenyl)-2-methylbutanamide (PubChem CID 81314159) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-2-methylbutanamide
PubChem CID81314159
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-(2-amino-6-fluorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1c(N)cccc1F
InChIInChI=1S/C11H15FN2O/c1-3-7(2)11(15)14-10-8(12)5-4-6-9(10)13/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyFWEDLQXJDCFMQJ-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.39
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-(2,6-difluorophenyl)propanamide
CID 43087644
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide
CID 81314024
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
tert-butyl N-(2-amino-6-fluorophenyl)carbamate
CID 10082408
N-(2-amino-6-fluorophenyl)-2-ethoxybenzamide
CID 81313737
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
methyl 2-fluoro-6-(2-methylbutanoylamino)benzoate
CID 144566925
4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
CID 81310021
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-2-methylbutanamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-2-methylbutanamide (CID 81314159) is N-(2-amino-6-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1c(N)cccc1F.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-2-methylbutanamide?
The InChIKey is FWEDLQXJDCFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-7(2)11(15)14-10-8(12)5-4-6-9(10)13/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-6-fluorophenyl)-2-methylbutanamide?
N-(2-amino-6-fluorophenyl)-2-methylbutanamide has a molecular weight of 210.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 81314159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).