N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide

C17H16F3NO2 — CID 159422167

IUPACN-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(Oc2ccccc2C)c(C)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H16F3NO2/c1-10-6-4-5-7-14(10)23-15-9-11(2)13(8-12(15)3)21-16(22)17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyLPWZVEFBRKJMKR-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.90
Rot. Bonds3

About N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide

N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 159422167) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide
PubChem CID159422167
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(Oc2ccccc2C)c(C)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C17H16F3NO2/c1-10-6-4-5-7-14(10)23-15-9-11(2)13(8-12(15)3)21-16(22)17(18,19)20/h4-9H,1-3H3,(H,21,22)
InChIKeyLPWZVEFBRKJMKR-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
4-(2-acetamidophenoxy)-3-methylbenzoic acid
CID 62120796
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 63374698
2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
CID 102107595
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide (CID 159422167) is N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide is Cc1cc(Oc2ccccc2C)c(C)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is LPWZVEFBRKJMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-10-6-4-5-7-14(10)23-15-9-11(2)13(8-12(15)3)21-16(22)17(18,19)20/h4-9H,1-3H3,(H,21,22).
What are the key properties of N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide?
N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 323.31 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-(2-methylphenoxy)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 159422167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).