N-[3,5-bis(trifluoromethyl)phenyl]acetamide

C10H7F6NO — CID 723600

IUPACN-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKeyXMKZELXFBZUGEY-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.68
Rot. Bonds1

About N-[3,5-bis(trifluoromethyl)phenyl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 723600) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID723600
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKeyXMKZELXFBZUGEY-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-Methylphenyl)acetamide
CID 10843
4-Methylacetanilide
CID 7684
N-acetyl-o-toluidine
CID 8443
(3-Trifluoromethylphenyl)urea
CID 25712
N-Acetyl-2,6-xylidine
CID 16616
N-(2,4-Dimethylphenyl)acetamide
CID 16303
O-Ethylacetanilide
CID 36332
3-Trifluoromethylisobutyranilide
CID 137264
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
Acetamide, N-(3-(trifluoromethyl)phenyl)-
CID 9595
3',4'-Dimethylacetanilide
CID 75144
2',3'-Acetoxylidide
CID 8656

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 723600) is N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is XMKZELXFBZUGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c1-5(18)17-8-3-6(9(11,12)13)2-7(4-8)10(14,15)16/h2-4H,1H3,(H,17,18).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 271.16 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 723600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).