2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide

C15H12F3NO2 — CID 174660546

IUPAC2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)NC(F)(F)F
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)19-14(20)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,20)
InChIKeyKRRCTHNFAGTUIT-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.66
Rot. Bonds4

About 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide

2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide (PubChem CID 174660546) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide.

Molecular Properties

Compound Name2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
PubChem CID174660546
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
SMILESO=C(Cc1cccc(Oc2ccccc2)c1)NC(F)(F)F
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)19-14(20)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,20)
InChIKeyKRRCTHNFAGTUIT-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenoxyphenyl)acetyl chloride
CID 12940116
2-[[2-(3-phenoxyphenyl)acetyl]amino]propanoic acid
CID 162228691
CID 174876749
CID 174876749
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
N-benzyl-4-oxo-5-(3-phenoxyphenyl)pentanamide
CID 58543320
(2-methylphenyl) 2-(3-phenoxyphenyl)acetate
CID 91335727
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
ethyl (E)-3-hydroxy-2-[(3-phenoxyphenyl)methyl]prop-2-enoate
CID 10732814
4-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 60782758

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide?
The IUPAC name of 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide (CID 174660546) is 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide.
What is the SMILES notation for 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide?
The canonical SMILES for 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide is O=C(Cc1cccc(Oc2ccccc2)c1)NC(F)(F)F.
What is the InChIKey of 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide?
The InChIKey is KRRCTHNFAGTUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)19-14(20)10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9H,10H2,(H,19,20).
What are the key properties of 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide?
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide has a molecular weight of 295.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide is sourced from PubChem (CID 174660546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).