N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide

C16H11F6NO — CID 162534936

IUPACN-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NO/c1-9(24)23-14-6-5-12(16(20,21)22)8-13(14)10-3-2-4-11(7-10)15(17,18)19/h2-8H,1H3,(H,23,24)
InChIKeyYMJHPURYPLPSKS-UHFFFAOYSA-N
MW347.26 g/mol
LogP5.35
Rot. Bonds2

About N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide

N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide (PubChem CID 162534936) has the molecular formula C16H11F6NO and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
PubChem CID162534936
Molecular FormulaC16H11F6NO
Molecular Weight347.26 g/mol
Exact Mass347.07
IUPAC NameN-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NO/c1-9(24)23-14-6-5-12(16(20,21)22)8-13(14)10-3-2-4-11(7-10)15(17,18)19/h2-8H,1H3,(H,23,24)
InChIKeyYMJHPURYPLPSKS-UHFFFAOYSA-N
XLogP5.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(hydroxymethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 122476023
3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide
CID 67742586
N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide
CID 166063893
2-oxo-N-[2-phenyl-4-(trifluoromethyl)phenyl]acetamide
CID 134547020
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
[2-[3-(2-hydroxypropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]urea
CID 141484569
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
N-[2-(2-methylpropanoyl)-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetamide
CID 177119035
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide (CID 162534936) is N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
The InChIKey is YMJHPURYPLPSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO/c1-9(24)23-14-6-5-12(16(20,21)22)8-13(14)10-3-2-4-11(7-10)15(17,18)19/h2-8H,1H3,(H,23,24).
What are the key properties of N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide?
N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide has a molecular weight of 347.26 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 162534936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).