N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide

C17H17F3N2O2 — CID 31773740

IUPACN-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCc1cccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C17H17F3N2O2/c1-11-5-3-8-15(12(11)2)22-16(23)10-21-13-6-4-7-14(9-13)24-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyCDGIYQLMIUBDGA-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.25
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide

N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 31773740) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID31773740
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCc1cccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C17H17F3N2O2/c1-11-5-3-8-15(12(11)2)22-16(23)10-21-13-6-4-7-14(9-13)24-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23)
InChIKeyCDGIYQLMIUBDGA-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544484
N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774679
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
N-(2,3-dimethylphenyl)-2-[3-(2-ethoxyethoxy)anilino]acetamide
CID 54827324
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54844261
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 61062823
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
2-(3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 26416873
N-[4-(cyanomethyl)phenyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31775100

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide (CID 31773740) is N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is Cc1cccc(NC(=O)CNc2cccc(OC(F)(F)F)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is CDGIYQLMIUBDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11-5-3-8-15(12(11)2)22-16(23)10-21-13-6-4-7-14(9-13)24-17(18,19)20/h3-9,21H,10H2,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide?
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 338.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 31773740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).