2-amino-N-(2-fluoro-5-nitrophenyl)butanamide

C10H12FN3O3 — CID 60779876

IUPAC2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
SMILESCCC(N)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H12FN3O3/c1-2-8(12)10(15)13-9-5-6(14(16)17)3-4-7(9)11/h3-5,8H,2,12H2,1H3,(H,13,15)
InChIKeyUEHIFQLHZLXXIL-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide

2-amino-N-(2-fluoro-5-nitrophenyl)butanamide (PubChem CID 60779876) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
PubChem CID60779876
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
SMILESCCC(N)C(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H12FN3O3/c1-2-8(12)10(15)13-9-5-6(14(16)17)3-4-7(9)11/h3-5,8H,2,12H2,1H3,(H,13,15)
InChIKeyUEHIFQLHZLXXIL-UHFFFAOYSA-N
XLogP1.41
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.41
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'}

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Related Compounds

(2S)-2-amino-N-(2-fluoro-4-nitrophenyl)butanamide
CID 79023514
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
2-(aminomethyl)-N-(2-fluoro-5-nitrophenyl)butanamide
CID 65225442
4-amino-5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid
CID 64896003
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
(2S)-2-amino-N-(2-fluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61155225
3-chloro-N-(2-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 55110565
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
methyl 2-(2-fluoro-5-nitroanilino)butanoate
CID 113292447

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide?
The IUPAC name of 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide (CID 60779876) is 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide?
The canonical SMILES for 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide is CCC(N)C(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide?
The InChIKey is UEHIFQLHZLXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-2-8(12)10(15)13-9-5-6(14(16)17)3-4-7(9)11/h3-5,8H,2,12H2,1H3,(H,13,15).
What are the key properties of 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide?
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide has a molecular weight of 241.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-5-nitrophenyl)butanamide is sourced from PubChem (CID 60779876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).