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

C11H14FN3O3 — CID 81075417

IUPAC4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-7(6-13)4-11(16)14-9-3-2-8(12)5-10(9)15(17)18/h2-3,5,7H,4,6,13H2,1H3,(H,14,16)
InChIKeyGOXKVSNTRGKYTP-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.66
Rot. Bonds5

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

4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide (PubChem CID 81075417) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
PubChem CID81075417
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14FN3O3/c1-7(6-13)4-11(16)14-9-3-2-8(12)5-10(9)15(17)18/h2-3,5,7H,4,6,13H2,1H3,(H,14,16)
InChIKeyGOXKVSNTRGKYTP-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-(4-fluoro-2-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

4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
6-amino-N-(4-fluoro-2-nitrophenyl)-4,4-dimethylhexanamide
CID 65290458
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 61179807
(4-fluoro-2-nitrophenyl)urea
CID 69476086
4-amino-N-(2-fluoro-6-nitrophenyl)-3-methylbutanamide
CID 81310551
4-amino-N-(2-cyano-4-nitrophenyl)-3-methylbutanamide
CID 81075952
(2S,3S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3-methylpentanamide
CID 61179992
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
3-amino-4-(4-fluoro-2-nitroanilino)-4-oxobutanoic acid
CID 64896853
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 61179993
2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 76887834

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide (CID 81075417) is 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide is CC(CN)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide?
The InChIKey is GOXKVSNTRGKYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-7(6-13)4-11(16)14-9-3-2-8(12)5-10(9)15(17)18/h2-3,5,7H,4,6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide?
4-amino-N-(4-fluoro-2-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-(4-fluoro-2-nitrophenyl)-3-methylbutanamide is sourced from PubChem (CID 81075417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).