2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide

C10H8ClFN2O — CID 126773085

IUPAC2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN2O/c11-9-6-8(12)2-1-7(9)5-10(15)14-4-3-13/h1-2,6H,4-5H2,(H,14,15)
InChIKeyQGNRXYLZPFGJCR-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.66
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide

2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide (PubChem CID 126773085) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
PubChem CID126773085
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H8ClFN2O/c11-9-6-8(12)2-1-7(9)5-10(15)14-4-3-13/h1-2,6H,4-5H2,(H,14,15)
InChIKeyQGNRXYLZPFGJCR-UHFFFAOYSA-N
XLogP1.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-fluorophenyl)-N-[(4-chloro-2-fluorophenyl)methyl]acetamide
CID 166226023
2-(2-chloro-4-fluorophenyl)-N-hex-5-ynylacetamide
CID 122146813
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
methyl 4-[[[2-(2-chloro-4-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylate
CID 122136775
methyl 2-[(2-chloro-4-fluorophenyl)methylamino]acetate
CID 28567058
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
2-(2-chloro-4-fluorophenyl)-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 122146777
(2S)-2-[[2-(2-chloro-4-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 119361641
2-(4-tert-butyl-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82478649
2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
methyl N-[2-[(2-chloro-4-fluorophenyl)methylamino]propyl]carbamate
CID 167981878

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide (CID 126773085) is 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide?
The InChIKey is QGNRXYLZPFGJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-9-6-8(12)2-1-7(9)5-10(15)14-4-3-13/h1-2,6H,4-5H2,(H,14,15).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide?
2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide has a molecular weight of 226.64 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 126773085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).