N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide

C17H17F3N2O — CID 108996969

IUPACN-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
SMILESCc1cccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O/c1-12-3-2-4-13(9-12)10-22-16(23)11-21-15-7-5-14(6-8-15)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyATHKSLIULYGXED-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.74
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide

N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide (PubChem CID 108996969) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
PubChem CID108996969
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
SMILESCc1cccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O/c1-12-3-2-4-13(9-12)10-22-16(23)11-21-15-7-5-14(6-8-15)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23)
InChIKeyATHKSLIULYGXED-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996973
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018
methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975
1-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100627942
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(3-methylphenyl)methyl]propanediamide
CID 108945653
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide (CID 108996969) is N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide is Cc1cccc(CNC(=O)CNc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide?
The InChIKey is ATHKSLIULYGXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-12-3-2-4-13(9-12)10-22-16(23)11-21-15-7-5-14(6-8-15)17(18,19)20/h2-9,21H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide?
N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide has a molecular weight of 322.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 108996969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).