2-chloro-N-(2-cyano-3-fluorophenyl)acetamide

C9H6ClFN2O — CID 2781266

IUPAC2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
SMILESN#Cc1c(F)cccc1NC(=O)CCl
InChIInChI=1S/C9H6ClFN2O/c10-4-9(14)13-8-3-1-2-7(11)6(8)5-12/h1-3H,4H2,(H,13,14)
InChIKeyQDQIGKUKBSXIMY-UHFFFAOYSA-N
MW212.61 g/mol
LogP1.87
Rot. Bonds2

About 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide

2-chloro-N-(2-cyano-3-fluorophenyl)acetamide (PubChem CID 2781266) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
PubChem CID2781266
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
SMILESN#Cc1c(F)cccc1NC(=O)CCl
InChIInChI=1S/C9H6ClFN2O/c10-4-9(14)13-8-3-1-2-7(11)6(8)5-12/h1-3H,4H2,(H,13,14)
InChIKeyQDQIGKUKBSXIMY-UHFFFAOYSA-N
XLogP1.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-N-(2,4-dimethylphenyl)acetamide
CID 170158
2-Chloro-N-(2,6-dimethylphenyl)acetamide
CID 70798
N-(4-cyanophenyl)acetamide
CID 37256
Acetamide, 2-chloro-N-(2-methylphenyl)-
CID 101479
2-chloro-N-(3-methylphenyl)acetamide
CID 296325
2-Chloro-N-(4-methylphenyl)acetamide
CID 27967
2-Chloro-N-(3-(trifluoromethyl)phenyl)acetamide
CID 736744
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
CID 2736740
N-(2-cyanophenyl)acetamide
CID 251992
2-chloro-N-(2,3-dimethylphenyl)acetamide
CID 296347
2-cyano-N-(2-methylphenyl)acetamide
CID 304920

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide (CID 2781266) is 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide is N#Cc1c(F)cccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide?
The InChIKey is QDQIGKUKBSXIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-4-9(14)13-8-3-1-2-7(11)6(8)5-12/h1-3H,4H2,(H,13,14).
What are the key properties of 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide?
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide has a molecular weight of 212.61 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyano-3-fluorophenyl)acetamide is sourced from PubChem (CID 2781266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).