2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide

C17H16F3NO — CID 10946730

IUPAC2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C(=O)C(F)(F)F)c2cccc(C)c2)c1
InChIInChI=1S/C17H16F3NO/c1-12-5-3-7-14(9-12)11-21(16(22)17(18,19)20)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
InChIKeyCYWVUMORPUIBIW-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.40
Rot. Bonds3

About 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide

2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 10946730) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID10946730
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CN(C(=O)C(F)(F)F)c2cccc(C)c2)c1
InChIInChI=1S/C17H16F3NO/c1-12-5-3-7-14(9-12)11-21(16(22)17(18,19)20)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
InChIKeyCYWVUMORPUIBIW-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(bromomethyl)phenyl]-N-[[3-(bromomethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 11059659
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
CID 103732620
N-[[(1R,2S,6S,7R,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-(3-methylphenyl)acetamide
CID 100808012
1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
CID 130562184

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide (CID 10946730) is 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CN(C(=O)C(F)(F)F)c2cccc(C)c2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is CYWVUMORPUIBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12-5-3-7-14(9-12)11-21(16(22)17(18,19)20)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide?
2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 307.32 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 10946730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).