N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide

C14H8F5NO — CID 2268959

IUPACN-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO/c1-7(21)20(8-5-3-2-4-6-8)14-12(18)10(16)9(15)11(17)13(14)19/h2-6H,1H3
InChIKeyPELYFTVOQWPWQW-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.07
Rot. Bonds2

About N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide

N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide (PubChem CID 2268959) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide
PubChem CID2268959
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H8F5NO/c1-7(21)20(8-5-3-2-4-6-8)14-12(18)10(16)9(15)11(17)13(14)19/h2-6H,1H3
InChIKeyPELYFTVOQWPWQW-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Acetanilide
CID 904
Diphenylformamide
CID 69081
Butylacetanilide
CID 7051
N,N-Diphenylacetamide
CID 10615
N-Ethyl-N-phenylacetamide
CID 10727
N-Methylacetanilide
CID 11364
N,N-Diphenylcarbamic chloride
CID 65741
N-[4-(phenylamino)phenyl]acetamide
CID 789635
N-(4-fluorophenyl)acetamide
CID 9601
2-chloro-N,N-diphenyl-Acetamide
CID 224481
Ethyl diphenylcarbamate
CID 69050
N-Propylacetanilide
CID 17098

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide (CID 2268959) is N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide is CC(=O)N(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide?
The InChIKey is PELYFTVOQWPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO/c1-7(21)20(8-5-3-2-4-6-8)14-12(18)10(16)9(15)11(17)13(14)19/h2-6H,1H3.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide?
N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide has a molecular weight of 301.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-N-phenylacetamide is sourced from PubChem (CID 2268959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).