2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide

C10H8FN3O3 — CID 168523564

IUPAC2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CC#N)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8FN3O3/c1-6-8(13-10(15)2-3-12)4-7(11)5-9(6)14(16)17/h4-5H,2H2,1H3,(H,13,15)
InChIKeyIJPNJDAXZFVTGJ-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.89
Rot. Bonds3

About 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide

2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide (PubChem CID 168523564) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
PubChem CID168523564
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Name2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CC#N)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H8FN3O3/c1-6-8(13-10(15)2-3-12)4-7(11)5-9(6)14(16)17/h4-5H,2H2,1H3,(H,13,15)
InChIKeyIJPNJDAXZFVTGJ-UHFFFAOYSA-N
XLogP1.89
TPSA96.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
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-cyano-N-(2,4-difluoro-6-nitrophenyl)acetamide
CID 83298314
2-cyano-N-[4-fluoro-5-nitro-2-(4-oxopent-2-en-2-ylamino)phenyl]acetamide
CID 168523711
N-(2-bromo-4-methyl-5-nitrophenyl)-2-cyanoacetamide
CID 113456286
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 168523210
2-cyano-N-(2,5-dichloro-4-nitrophenyl)acetamide
CID 168520132
2-cyano-N-(5-methoxy-2-nitrophenyl)acetamide
CID 168520140
N-(4-bromo-2,3-difluoro-6-nitrophenyl)-2-cyanoacetamide
CID 168522473
2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
CID 91681073
2-cyano-N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide
CID 168520063
4-[(2-cyanoacetyl)amino]-2,3-difluoro-5-nitrobenzoic acid
CID 168520158
2-(4-fluoro-2,6-dinitrophenyl)acetonitrile
CID 53399258

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide (CID 168523564) is 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CC#N)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide?
The InChIKey is IJPNJDAXZFVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c1-6-8(13-10(15)2-3-12)4-7(11)5-9(6)14(16)17/h4-5H,2H2,1H3,(H,13,15).
What are the key properties of 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide?
2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide has a molecular weight of 237.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-fluoro-2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 168523564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).