N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C17H14F5NO — CID 166187270

IUPACN-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1cccc(N(C)C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1C
InChIInChI=1S/C17H14F5NO/c1-8-5-4-6-11(9(8)2)23(3)12(24)7-10-13(18)15(20)17(22)16(21)14(10)19/h4-6H,7H2,1-3H3
InChIKeyNXVWVUGAGLDUTA-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.20
Rot. Bonds3

About N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 166187270) has the molecular formula C17H14F5NO and a molecular weight of 343.30 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID166187270
Molecular FormulaC17H14F5NO
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC NameN-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCc1cccc(N(C)C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1C
InChIInChI=1S/C17H14F5NO/c1-8-5-4-6-11(9(8)2)23(3)12(24)7-10-13(18)15(20)17(22)16(21)14(10)19/h4-6H,7H2,1-3H3
InChIKeyNXVWVUGAGLDUTA-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.20
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

2-(2,6-dichlorophenyl)-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 52705078
2-bromo-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 10682477
N-(2,3-difluorophenyl)-N-methyl-2-phenylacetamide
CID 67194482
N-methyl-N-phenyl-2-(N,2,3-trimethylanilino)acetamide
CID 60525145
N-(2,3-dimethylphenyl)-4-iodo-N-methylbenzamide
CID 47313955
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3-dimethylphenyl)-N-methylpropanamide
CID 98457853
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
N-(2,3-dimethylphenyl)-4-ethoxy-N,3-dimethylbenzamide
CID 86938178
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)-N-methylacetamide
CID 55917329
[3-(N-carboxy-2,3-dimethylanilino)-2-methylphenyl]-(2,3-dimethylphenyl)carbamic acid
CID 174980910
2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
CID 28794703

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 166187270) is N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide is Cc1cccc(N(C)C(=O)Cc2c(F)c(F)c(F)c(F)c2F)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is NXVWVUGAGLDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NO/c1-8-5-4-6-11(9(8)2)23(3)12(24)7-10-13(18)15(20)17(22)16(21)14(10)19/h4-6H,7H2,1-3H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 343.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-methyl-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 166187270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).