2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide

C10H7ClFN3O2 — CID 43580813

IUPAC2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
SMILESN#Cc1c(F)cccc1NC(=O)NC(=O)CCl
InChIInChI=1S/C10H7ClFN3O2/c11-4-9(16)15-10(17)14-8-3-1-2-7(12)6(8)5-13/h1-3H,4H2,(H2,14,15,16,17)
InChIKeyUROAGXAXOFGPPX-UHFFFAOYSA-N
MW255.64 g/mol
LogP1.58
Rot. Bonds2

About 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide

2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide (PubChem CID 43580813) has the molecular formula C10H7ClFN3O2 and a molecular weight of 255.64 g/mol. Its IUPAC name is 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
PubChem CID43580813
Molecular FormulaC10H7ClFN3O2
Molecular Weight255.64 g/mol
Exact Mass255.02
IUPAC Name2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide
SMILESN#Cc1c(F)cccc1NC(=O)NC(=O)CCl
InChIInChI=1S/C10H7ClFN3O2/c11-4-9(16)15-10(17)14-8-3-1-2-7(12)6(8)5-13/h1-3H,4H2,(H2,14,15,16,17)
InChIKeyUROAGXAXOFGPPX-UHFFFAOYSA-N
XLogP1.58
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide (CID 43580813) is 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide is N#Cc1c(F)cccc1NC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide?
The InChIKey is UROAGXAXOFGPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O2/c11-4-9(16)15-10(17)14-8-3-1-2-7(12)6(8)5-13/h1-3H,4H2,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide?
2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide has a molecular weight of 255.64 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-cyano-3-fluorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 43580813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).