N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C15H9F6NO — CID 17449540

IUPACN-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1ccc(F)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H9F6NO/c1-6-2-3-8(16)9(4-6)22-10(23)5-7-11(17)13(19)15(21)14(20)12(7)18/h2-4H,5H2,1H3,(H,22,23)
InChIKeySQSMEDUZEHIEGH-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.01
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 17449540) has the molecular formula C15H9F6NO and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID17449540
Molecular FormulaC15H9F6NO
Molecular Weight333.23 g/mol
Exact Mass333.06
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1ccc(F)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C15H9F6NO/c1-6-2-3-8(16)9(4-6)22-10(23)5-7-11(17)13(19)15(21)14(20)12(7)18/h2-4H,5H2,1H3,(H,22,23)
InChIKeySQSMEDUZEHIEGH-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
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

N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
N-(2-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34749475
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36805569
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455228
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825
N-(2-fluoro-5-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 26664203
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 164652670

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 17449540) is N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is Cc1ccc(F)c(NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is SQSMEDUZEHIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6NO/c1-6-2-3-8(16)9(4-6)22-10(23)5-7-11(17)13(19)15(21)14(20)12(7)18/h2-4H,5H2,1H3,(H,22,23).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 333.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 17449540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).