2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

C17H16FNO2 — CID 95983064

IUPAC2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1F
InChIInChI=1S/C17H16FNO2/c18-15-8-4-2-6-13(15)16(20)19-11-17(21)10-9-12-5-1-3-7-14(12)17/h1-8,21H,9-11H2,(H,19,20)/t17-/m1/s1
InChIKeyMDANIISDUFJJGH-QGZVFWFLSA-N
MW285.32 g/mol
LogP2.39
Rot. Bonds3

About 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (PubChem CID 95983064) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
PubChem CID95983064
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1F
InChIInChI=1S/C17H16FNO2/c18-15-8-4-2-6-13(15)16(20)19-11-17(21)10-9-12-5-1-3-7-14(12)17/h1-8,21H,9-11H2,(H,19,20)/t17-/m1/s1
InChIKeyMDANIISDUFJJGH-QGZVFWFLSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492517
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-pyrrolidin-1-ylmethanone
CID 59492856
9-Hydroxy-2-[3-(2-oxopyrrolidin-1-yl)propyl]-9-(trifluoromethyl)fluorene-4-carboxamide
CID 59492978
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59493216
9-hydroxy-N-(4-hydroxybutyl)-4-methyl-9-(trifluoromethyl)fluorene-2-carboxamide
CID 59493061
9-hydroxy-N-(4-hydroxybutyl)-9-(trifluoromethyl)fluorene-2-carboxamide
CID 59492561
9-hydroxy-N-methyl-N-propyl-9-(trifluoromethyl)fluorene-2-carboxamide
CID 59492573
N-ethyl-9-hydroxy-9-(trifluoromethyl)fluorene-2-carboxamide
CID 59492605
9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-3-carboxamide
CID 59492613
9-hydroxy-N-methyl-9-(trifluoromethyl)fluorene-2-carboxamide
CID 59492620
[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]-piperidin-1-ylmethanone
CID 59492714

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (CID 95983064) is 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is O=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The InChIKey is MDANIISDUFJJGH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-8-4-2-6-13(15)16(20)19-11-17(21)10-9-12-5-1-3-7-14(12)17/h1-8,21H,9-11H2,(H,19,20)/t17-/m1/s1.
What are the key properties of 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide has a molecular weight of 285.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is sourced from PubChem (CID 95983064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).