4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide

C11H14FN3O3 — CID 81310021

IUPAC4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-7(5-6-13)11(16)14-10-8(12)3-2-4-9(10)15(17)18/h2-4,7H,5-6,13H2,1H3,(H,14,16)
InChIKeyFYGMMDXESFEQIW-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.66
Rot. Bonds5

About 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide

4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide (PubChem CID 81310021) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
PubChem CID81310021
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
SMILESCC(CCN)C(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-7(5-6-13)11(16)14-10-8(12)3-2-4-9(10)15(17)18/h2-4,7H,5-6,13H2,1H3,(H,14,16)
InChIKeyFYGMMDXESFEQIW-UHFFFAOYSA-N
XLogP1.66
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide 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

3-amino-N-(2-fluoro-6-nitrophenyl)-2-methylpropanamide
CID 81309744
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310717
(2S,3S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81309749
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81310807
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)hexanamide
CID 107146091
4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310551
5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
CID 81310195
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564436
N-(2-fluoro-6-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103029215
N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
CID 81310912

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide (CID 81310021) is 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide is CC(CCN)C(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide?
The InChIKey is FYGMMDXESFEQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-7(5-6-13)11(16)14-10-8(12)3-2-4-9(10)15(17)18/h2-4,7H,5-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide?
4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide has a molecular weight of 255.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide is sourced from PubChem (CID 81310021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).