4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide

C11H14FN3O3 — CID 81310551

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

About 4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide

4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide (PubChem CID 81310551) 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)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
PubChem CID81310551
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-7(6-13)5-10(16)14-11-8(12)3-2-4-9(11)15(17)18/h2-4,7H,5-6,13H2,1H3,(H,14,16)
InChIKeyUQCDIIXQQINVIW-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)-3-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
4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
CID 81310021
5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
CID 81310195
3-amino-N-(2-fluoro-6-nitrophenyl)-2-methoxypropanamide
CID 106113239
methyl 3-(2-fluoro-6-nitroanilino)-3-oxopropanoate
CID 170375217
N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310717
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
(2S,3S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81309749
(2S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81310807
N-(2-fluoro-6-nitrophenyl)-4-(methylamino)butanamide
CID 81310912
3-(tert-butylamino)-N-(2-fluoro-6-nitrophenyl)propanamide
CID 81311088

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide (CID 81310551) is 4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide is CC(CN)CC(=O)Nc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide?
The InChIKey is UQCDIIXQQINVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-7(6-13)5-10(16)14-11-8(12)3-2-4-9(11)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)-3-methylbutanamide?
4-amino-N-(2-fluoro-6-nitrophenyl)-3-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)-3-methylbutanamide is sourced from PubChem (CID 81310551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).