N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide

C9H10FN3O3 — CID 78914527

IUPACN-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O3/c1-11-5-9(14)12-7-4-6(10)2-3-8(7)13(15)16/h2-4,11H,5H2,1H3,(H,12,14)
InChIKeyTZHMACPVAANYKW-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.89
Rot. Bonds4

About N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide

N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide (PubChem CID 78914527) has the molecular formula C9H10FN3O3 and a molecular weight of 227.19 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
PubChem CID78914527
Molecular FormulaC9H10FN3O3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC NameN-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10FN3O3/c1-11-5-9(14)12-7-4-6(10)2-3-8(7)13(15)16/h2-4,11H,5H2,1H3,(H,12,14)
InChIKeyTZHMACPVAANYKW-UHFFFAOYSA-N
XLogP0.89
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.89
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

2-(methylamino)-N-(5-methyl-2-nitrophenyl)acetamide
CID 112557772
ethyl 3-(5-fluoro-2-nitroanilino)-3-oxopropanoate
CID 58328051
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
1-(5-fluoro-2-nitrophenyl)-3-propan-2-ylurea
CID 116656949
1-butyl-3-(5-fluoro-2-nitrophenyl)urea
CID 116656955
N-(5-fluoro-2-methylphenyl)-3-(2-nitroanilino)propanamide
CID 16962362
N-(5-fluoro-2-nitrophenyl)-2,5-dimethylpyrrol-1-amine
CID 79107216
N-(5-fluoro-2-nitrophenyl)-2-methyl-1H-imidazole-5-carboxamide
CID 110467600
3-(5-methyl-2-nitroanilino)-3-oxopropanoic acid
CID 112557865
2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
CID 4841472
N-(5-fluoro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627881
N-(5-fluoro-2-nitrophenyl)cyclopentanecarboxamide
CID 110461317

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide (CID 78914527) is N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide?
The InChIKey is TZHMACPVAANYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c1-11-5-9(14)12-7-4-6(10)2-3-8(7)13(15)16/h2-4,11H,5H2,1H3,(H,12,14).
What are the key properties of N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide?
N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide has a molecular weight of 227.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 78914527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).