4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide

C17H17F2NO — CID 166317910

IUPAC4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccccc1F)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-12(6-7-13-4-2-3-5-16(13)19)20-17(21)14-8-10-15(18)11-9-14/h2-5,8-12H,6-7H2,1H3,(H,20,21)
InChIKeyZIZWUXJAZWZPBI-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.72
Rot. Bonds5

About 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide

4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide (PubChem CID 166317910) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
PubChem CID166317910
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccccc1F)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H17F2NO/c1-12(6-7-13-4-2-3-5-16(13)19)20-17(21)14-8-10-15(18)11-9-14/h2-5,8-12H,6-7H2,1H3,(H,20,21)
InChIKeyZIZWUXJAZWZPBI-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2S)-4-(1-ethylindol-3-yl)butan-2-yl]-4-fluorobenzamide
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(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
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4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
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[4-(4-phenylbutan-2-ylcarbamoyl)phenyl] acetate
CID 3865423
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N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
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2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
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CID 107026940

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide (CID 166317910) is 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide is CC(CCc1ccccc1F)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide?
The InChIKey is ZIZWUXJAZWZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-12(6-7-13-4-2-3-5-16(13)19)20-17(21)14-8-10-15(18)11-9-14/h2-5,8-12H,6-7H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide?
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide has a molecular weight of 289.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide is sourced from PubChem (CID 166317910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).