N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide

C17H17F3N2O2 — CID 113225288

IUPACN-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-15-9-4-3-8-14(15)21-11-12-6-5-7-13(10-12)22-16(23)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeySRSJHNQPLNSTBH-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.20
Rot. Bonds6

About N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide

N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 113225288) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID113225288
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1NCc1cccc(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-2-24-15-9-4-3-8-14(15)21-11-12-6-5-7-13(10-12)22-16(23)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23)
InChIKeySRSJHNQPLNSTBH-UHFFFAOYSA-N
XLogP4.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethoxyanilino)methyl]benzoic acid
CID 82096099
N-(2-ethoxyphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969461
N-[3-[(2,2-dimethylpropylamino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 61167213
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
N-[3-[(2-cyano-4-fluoroanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113341062
N-[3-[(2-chloro-4-fluoro-5-methylanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 112734595
N-[3-[(5-bromo-2-chloroanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113232495
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108934485
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide (CID 113225288) is N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide is CCOc1ccccc1NCc1cccc(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is SRSJHNQPLNSTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-2-24-15-9-4-3-8-14(15)21-11-12-6-5-7-13(10-12)22-16(23)17(18,19)20/h3-10,21H,2,11H2,1H3,(H,22,23).
What are the key properties of N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 338.33 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 113225288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).