4-fluoro-N-(2-fluoroethyl)benzamide

C9H9F2NO — CID 130478179

IUPAC4-fluoro-N-(2-fluoroethyl)benzamide
SMILESO=C(NCCF)c1ccc(F)cc1
InChIInChI=1S/C9H9F2NO/c10-5-6-12-9(13)7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)
InChIKeyGKAAHKFWEYQRLW-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.52
Rot. Bonds3

About 4-fluoro-N-(2-fluoroethyl)benzamide

4-fluoro-N-(2-fluoroethyl)benzamide (PubChem CID 130478179) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoroethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoroethyl)benzamide
PubChem CID130478179
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name4-fluoro-N-(2-fluoroethyl)benzamide
SMILESO=C(NCCF)c1ccc(F)cc1
InChIInChI=1S/C9H9F2NO/c10-5-6-12-9(13)7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)
InChIKeyGKAAHKFWEYQRLW-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2841750
N-(2-aminooxyethyl)-4-fluorobenzamide
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4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
CID 110716409
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoroethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-fluoroethyl)benzamide (CID 130478179) is 4-fluoro-N-(2-fluoroethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoroethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-fluoroethyl)benzamide is O=C(NCCF)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-fluoroethyl)benzamide?
The InChIKey is GKAAHKFWEYQRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-5-6-12-9(13)7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13).
What are the key properties of 4-fluoro-N-(2-fluoroethyl)benzamide?
4-fluoro-N-(2-fluoroethyl)benzamide has a molecular weight of 185.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluoroethyl)benzamide is sourced from PubChem (CID 130478179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).