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

C10H11FN2O3 — CID 909497

IUPACN-(2-fluoro-5-nitrophenyl)butanamide
SMILESCCCC(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O3/c1-2-3-10(14)12-9-6-7(13(15)16)4-5-8(9)11/h4-6H,2-3H2,1H3,(H,12,14)
InChIKeyASPOFLBHLPWSFB-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.47
Rot. Bonds4

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

N-(2-fluoro-5-nitrophenyl)butanamide (PubChem CID 909497) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)butanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)butanamide
PubChem CID909497
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC NameN-(2-fluoro-5-nitrophenyl)butanamide
SMILESCCCC(=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O3/c1-2-3-10(14)12-9-6-7(13(15)16)4-5-8(9)11/h4-6H,2-3H2,1H3,(H,12,14)
InChIKeyASPOFLBHLPWSFB-UHFFFAOYSA-N
XLogP2.47
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-fluoro-5-nitrophenyl)butanamide 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(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
3-(2,6-dimethylphenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 52696119
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904
3-(3,5-dimethoxyphenyl)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 134044495
(2S)-N-(2-fluoro-5-nitrophenyl)-2-methylbutanamide
CID 7270057
N-(2-fluoro-5-nitrophenyl)-2-methylpentanamide
CID 2905787
2-fluoro-5-nitro-N-pentylaniline
CID 43718990
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-methylpentanoate
CID 5236524
N-(2-fluoro-5-nitrophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467427
2-amino-N-(2-fluoro-5-nitrophenyl)butanamide
CID 60779876
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2489578
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)butanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)butanamide (CID 909497) is N-(2-fluoro-5-nitrophenyl)butanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)butanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)butanamide is CCCC(=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)butanamide?
The InChIKey is ASPOFLBHLPWSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-2-3-10(14)12-9-6-7(13(15)16)4-5-8(9)11/h4-6H,2-3H2,1H3,(H,12,14).
What are the key properties of N-(2-fluoro-5-nitrophenyl)butanamide?
N-(2-fluoro-5-nitrophenyl)butanamide has a molecular weight of 226.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)butanamide is sourced from PubChem (CID 909497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).