N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide

C12H11ClF2N2O — CID 107491206

IUPACN-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CCCl)CC(F)F)cc1
InChIInChI=1S/C12H11ClF2N2O/c13-5-6-17(8-11(14)15)12(18)10-3-1-9(7-16)2-4-10/h1-4,11H,5-6,8H2
InChIKeyMETFYYSDDQHOKV-UHFFFAOYSA-N
MW272.68 g/mol
LogP2.50
Rot. Bonds5

About N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide

N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide (PubChem CID 107491206) has the molecular formula C12H11ClF2N2O and a molecular weight of 272.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide
PubChem CID107491206
Molecular FormulaC12H11ClF2N2O
Molecular Weight272.68 g/mol
Exact Mass272.05
IUPAC NameN-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(CCCl)CC(F)F)cc1
InChIInChI=1S/C12H11ClF2N2O/c13-5-6-17(8-11(14)15)12(18)10-3-1-9(7-16)2-4-10/h1-4,11H,5-6,8H2
InChIKeyMETFYYSDDQHOKV-UHFFFAOYSA-N
XLogP2.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide?
The IUPAC name of N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide (CID 107491206) is N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide.
What is the SMILES notation for N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide?
The canonical SMILES for N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide is N#Cc1ccc(C(=O)N(CCCl)CC(F)F)cc1.
What is the InChIKey of N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide?
The InChIKey is METFYYSDDQHOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O/c13-5-6-17(8-11(14)15)12(18)10-3-1-9(7-16)2-4-10/h1-4,11H,5-6,8H2.
What are the key properties of N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide?
N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide has a molecular weight of 272.68 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-4-cyano-N-(2,2-difluoroethyl)benzamide is sourced from PubChem (CID 107491206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).