N,N-diethyl-2,5-difluorobenzamide

C11H13F2NO — CID 5044848

IUPACN,N-diethyl-2,5-difluorobenzamide
SMILESCCN(CC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c1-3-14(4-2)11(15)9-7-8(12)5-6-10(9)13/h5-7H,3-4H2,1-2H3
InChIKeyJEEJMEMWBHLCKZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.45
Rot. Bonds3

About N,N-diethyl-2,5-difluorobenzamide

N,N-diethyl-2,5-difluorobenzamide (PubChem CID 5044848) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N,N-diethyl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN,N-diethyl-2,5-difluorobenzamide
PubChem CID5044848
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN,N-diethyl-2,5-difluorobenzamide
SMILESCCN(CC)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c1-3-14(4-2)11(15)9-7-8(12)5-6-10(9)13/h5-7H,3-4H2,1-2H3
InChIKeyJEEJMEMWBHLCKZ-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,5-difluorobenzamide?
The IUPAC name of N,N-diethyl-2,5-difluorobenzamide (CID 5044848) is N,N-diethyl-2,5-difluorobenzamide.
What is the SMILES notation for N,N-diethyl-2,5-difluorobenzamide?
The canonical SMILES for N,N-diethyl-2,5-difluorobenzamide is CCN(CC)C(=O)c1cc(F)ccc1F.
What is the InChIKey of N,N-diethyl-2,5-difluorobenzamide?
The InChIKey is JEEJMEMWBHLCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-14(4-2)11(15)9-7-8(12)5-6-10(9)13/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,5-difluorobenzamide?
N,N-diethyl-2,5-difluorobenzamide has a molecular weight of 213.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,5-difluorobenzamide is sourced from PubChem (CID 5044848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).