2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide

C17H15F3N2O2 — CID 108933173

IUPAC2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O2/c1-11-3-2-4-12(9-11)10-15(23)21-13-5-7-14(8-6-13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyXURBUEMDEUFRMG-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.68
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide

2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide (PubChem CID 108933173) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
PubChem CID108933173
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C17H15F3N2O2/c1-11-3-2-4-12(9-11)10-15(23)21-13-5-7-14(8-6-13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyXURBUEMDEUFRMG-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-(3-methylphenyl)-N-[4-(propylamino)phenyl]acetamide
CID 112979742
3-(3-methylphenyl)-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108933890
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 71985828
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112985121
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
N-[4-(2-fluoroanilino)phenyl]-2-(3-methylphenyl)acetamide
CID 112986781
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
N-[4-(butan-2-ylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112980500
ethyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 113098824

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide (CID 108933173) is 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide is Cc1cccc(CC(=O)Nc2ccc(NC(=O)C(F)(F)F)cc2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
The InChIKey is XURBUEMDEUFRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11-3-2-4-12(9-11)10-15(23)21-13-5-7-14(8-6-13)22-16(24)17(18,19)20/h2-9H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide has a molecular weight of 336.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 108933173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).