N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide

C11H11ClF3NO — CID 107491097

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(CCCl)CC(F)F
InChIInChI=1S/C11H11ClF3NO/c12-4-5-16(7-10(14)15)11(17)8-2-1-3-9(13)6-8/h1-3,6,10H,4-5,7H2
InChIKeyKZLBNYNFNPKMAW-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.77
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide (PubChem CID 107491097) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
PubChem CID107491097
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(CCCl)CC(F)F
InChIInChI=1S/C11H11ClF3NO/c12-4-5-16(7-10(14)15)11(17)8-2-1-3-9(13)6-8/h1-3,6,10H,4-5,7H2
InChIKeyKZLBNYNFNPKMAW-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 114020515
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
CID 107493447
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-3-nitrobenzamide
CID 107490874
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)benzamide
CID 107491591
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
CID 107491039
N-(2-chloroethyl)-N-(2,2-difluoroethyl)quinoline-2-carboxamide
CID 107491243
N-(2-chloroethyl)-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492196

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide (CID 107491097) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide is O=C(c1cccc(F)c1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide?
The InChIKey is KZLBNYNFNPKMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-4-5-16(7-10(14)15)11(17)8-2-1-3-9(13)6-8/h1-3,6,10H,4-5,7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide has a molecular weight of 265.66 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide is sourced from PubChem (CID 107491097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).