5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

C17H25FN2O3 — CID 71989683

IUPAC5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCC(C)(O)CCC(C)C)c1
InChIInChI=1S/C17H25FN2O3/c1-11(2)7-8-17(4,23)10-19-16(22)14-9-13(20-12(3)21)5-6-15(14)18/h5-6,9,11,23H,7-8,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyKZSVHEXQBDPWCK-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.70
Rot. Bonds7

About 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide

5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (PubChem CID 71989683) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
PubChem CID71989683
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCC(C)(O)CCC(C)C)c1
InChIInChI=1S/C17H25FN2O3/c1-11(2)7-8-17(4,23)10-19-16(22)14-9-13(20-12(3)21)5-6-15(14)18/h5-6,9,11,23H,7-8,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyKZSVHEXQBDPWCK-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide
CID 111485358
(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 119363829
2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
CID 119348788
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
CID 120506854
2-cyano-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111825762
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 120517221
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
2-(3-methylbutoxy)ethyl 5-acetamido-2-fluorobenzoate
CID 60568176
5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110908798
1-(2-hydroxy-2,5-dimethylhexyl)-3-(1H-indol-5-yl)urea
CID 111453354
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide (CID 71989683) is 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is CC(=O)Nc1ccc(F)c(C(=O)NCC(C)(O)CCC(C)C)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
The InChIKey is KZSVHEXQBDPWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)7-8-17(4,23)10-19-16(22)14-9-13(20-12(3)21)5-6-15(14)18/h5-6,9,11,23H,7-8,10H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide?
5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide has a molecular weight of 324.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-(2-hydroxy-2,5-dimethylhexyl)benzamide is sourced from PubChem (CID 71989683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).