5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide

C12H16FN3O3 — CID 82011167

IUPAC5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16FN3O3/c1-8(7-14)2-5-12(17)15-9-3-4-10(13)11(6-9)16(18)19/h3-4,6,8H,2,5,7,14H2,1H3,(H,15,17)
InChIKeyFXHXIAGSGOPADE-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.05
Rot. Bonds6

About 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide

5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide (PubChem CID 82011167) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
PubChem CID82011167
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16FN3O3/c1-8(7-14)2-5-12(17)15-9-3-4-10(13)11(6-9)16(18)19/h3-4,6,8H,2,5,7,14H2,1H3,(H,15,17)
InChIKeyFXHXIAGSGOPADE-UHFFFAOYSA-N
XLogP2.05
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.05
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 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide 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

N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
CID 82012712
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
(2S)-2-amino-N-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
CID 65225395
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776180
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
3-(3,5-dimethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 9076945
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide (CID 82011167) is 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide is CC(CN)CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide?
The InChIKey is FXHXIAGSGOPADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-8(7-14)2-5-12(17)15-9-3-4-10(13)11(6-9)16(18)19/h3-4,6,8H,2,5,7,14H2,1H3,(H,15,17).
What are the key properties of 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide?
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide has a molecular weight of 269.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide is sourced from PubChem (CID 82011167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).