5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide

C12H15F2N3O3 — CID 82012712

IUPAC5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C12H15F2N3O3/c1-7(6-15)2-3-12(18)16-10-5-11(17(19)20)9(14)4-8(10)13/h4-5,7H,2-3,6,15H2,1H3,(H,16,18)
InChIKeySEADWQUOXSJZCZ-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.19
Rot. Bonds6

About 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide

5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide (PubChem CID 82012712) has the molecular formula C12H15F2N3O3 and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
PubChem CID82012712
Molecular FormulaC12H15F2N3O3
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
SMILESCC(CN)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C12H15F2N3O3/c1-7(6-15)2-3-12(18)16-10-5-11(17(19)20)9(14)4-8(10)13/h4-5,7H,2-3,6,15H2,1H3,(H,16,18)
InChIKeySEADWQUOXSJZCZ-UHFFFAOYSA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.19
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-(2,4-difluoro-5-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

5-amino-N-(2,4-dimethyl-5-nitrophenyl)-4-methylpentanamide
CID 104757782
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
N-(2,4-difluoro-5-nitrophenyl)-4-(methylamino)butanamide
CID 54925209
4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide
CID 55203675
2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
CID 43709921
5-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 82011572
6-amino-4-methyl-N-(5-methyl-2-nitrophenyl)hexanamide
CID 115912617
(2S)-2-amino-N-(2,4-difluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61178965
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide?
The IUPAC name of 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide (CID 82012712) is 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide?
The canonical SMILES for 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide is CC(CN)CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide?
The InChIKey is SEADWQUOXSJZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3/c1-7(6-15)2-3-12(18)16-10-5-11(17(19)20)9(14)4-8(10)13/h4-5,7H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide?
5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide has a molecular weight of 287.27 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide is sourced from PubChem (CID 82012712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).