N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide

C16H14F3NO — CID 110789003

IUPACN-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1ccc(F)cc1F
InChIInChI=1S/C16H14F3NO/c17-13-4-1-11(2-5-13)9-16(21)20-8-7-12-3-6-14(18)10-15(12)19/h1-6,10H,7-9H2,(H,20,21)
InChIKeyCGRUNUMVIVOGJF-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 110789003) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID110789003
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1ccc(F)cc1F
InChIInChI=1S/C16H14F3NO/c17-13-4-1-11(2-5-13)9-16(21)20-8-7-12-3-6-14(18)10-15(12)19/h1-6,10H,7-9H2,(H,20,21)
InChIKeyCGRUNUMVIVOGJF-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
N-[2-(2,4-difluorophenyl)ethyl]-2-hydroxyacetamide
CID 115140069
N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 71919055
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
1-benzyl-3-[2-(2,4-difluorophenyl)ethyl]urea
CID 110775874
N-[2-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186704
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789806

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide (CID 110789003) is N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NCCc1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CGRUNUMVIVOGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-13-4-1-11(2-5-13)9-16(21)20-8-7-12-3-6-14(18)10-15(12)19/h1-6,10H,7-9H2,(H,20,21).
What are the key properties of N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 293.29 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110789003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).