2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide

C20H14F3NO — CID 54538420

IUPAC2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14F3NO/c21-15-4-8-18(9-5-15)24(19-10-6-16(22)7-11-19)20(25)13-14-2-1-3-17(23)12-14/h1-12H,13H2
InChIKeyZBKGBDRIFPYLAN-UHFFFAOYSA-N
MW341.33 g/mol
LogP5.01
Rot. Bonds4

About 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide

2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide (PubChem CID 54538420) has the molecular formula C20H14F3NO and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide
PubChem CID54538420
Molecular FormulaC20H14F3NO
Molecular Weight341.33 g/mol
Exact Mass341.10
IUPAC Name2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H14F3NO/c21-15-4-8-18(9-5-15)24(19-10-6-16(22)7-11-19)20(25)13-14-2-1-3-17(23)12-14/h1-12H,13H2
InChIKeyZBKGBDRIFPYLAN-UHFFFAOYSA-N
XLogP5.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
CID 47023720
N-(2-chloropropyl)-2-(3-fluorophenyl)-N-methylacetamide
CID 63393863
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)butanoic acid
CID 54115818
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
3-[ethyl-[2-(3-fluorophenyl)acetyl]amino]butanoic acid
CID 62821222
N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 57214135
2-(3-fluorophenyl)-N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 55789223

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide (CID 54538420) is 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)N(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide?
The InChIKey is ZBKGBDRIFPYLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO/c21-15-4-8-18(9-5-15)24(19-10-6-16(22)7-11-19)20(25)13-14-2-1-3-17(23)12-14/h1-12H,13H2.
What are the key properties of 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide?
2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide has a molecular weight of 341.33 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N,N-bis(4-fluorophenyl)acetamide is sourced from PubChem (CID 54538420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).