N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide

C15H11F4NO — CID 51150419

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C15H11F4NO/c1-8(11-4-2-9(16)6-13(11)18)20-15(21)12-5-3-10(17)7-14(12)19/h2-8H,1H3,(H,20,21)
InChIKeyMPFJFIFCTXSDAC-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide

N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide (PubChem CID 51150419) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
PubChem CID51150419
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C15H11F4NO/c1-8(11-4-2-9(16)6-13(11)18)20-15(21)12-5-3-10(17)7-14(12)19/h2-8H,1H3,(H,20,21)
InChIKeyMPFJFIFCTXSDAC-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide (CID 51150419) is N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide is CC(NC(=O)c1ccc(F)cc1F)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide?
The InChIKey is MPFJFIFCTXSDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c1-8(11-4-2-9(16)6-13(11)18)20-15(21)12-5-3-10(17)7-14(12)19/h2-8H,1H3,(H,20,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide?
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide has a molecular weight of 297.25 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 51150419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).