2-fluoro-N-[(3-nitrophenyl)methyl]acetamide

C9H9FN2O3 — CID 174553789

IUPAC2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
SMILESO=C(CF)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9FN2O3/c10-5-9(13)11-6-7-2-1-3-8(4-7)12(14)15/h1-4H,5-6H2,(H,11,13)
InChIKeyCZECFEHPMWYORX-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.18
Rot. Bonds4

About 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide

2-fluoro-N-[(3-nitrophenyl)methyl]acetamide (PubChem CID 174553789) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
PubChem CID174553789
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
SMILESO=C(CF)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H9FN2O3/c10-5-9(13)11-6-7-2-1-3-8(4-7)12(14)15/h1-4H,5-6H2,(H,11,13)
InChIKeyCZECFEHPMWYORX-UHFFFAOYSA-N
XLogP1.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.18
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 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide 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

2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide
CID 79192767
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
N-[(3-nitrophenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79270880
N-[(3-nitrophenyl)methyl]but-2-enamide
CID 78978970
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-methyl-3-[(3-nitrophenyl)methylamino]-3-oxopropanoic acid
CID 114898347
(2S)-2-amino-3-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 55084111
ethyl 2-[(3-nitrophenyl)methylamino]-2-oxoacetate
CID 10658438

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide (CID 174553789) is 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide is O=C(CF)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide?
The InChIKey is CZECFEHPMWYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c10-5-9(13)11-6-7-2-1-3-8(4-7)12(14)15/h1-4H,5-6H2,(H,11,13).
What are the key properties of 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide?
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide has a molecular weight of 212.18 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 174553789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).