azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone

C13H16FNO2 — CID 113304514

IUPACazepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)cc1O)N1CCCCCC1
InChIInChI=1S/C13H16FNO2/c14-10-5-6-11(12(16)9-10)13(17)15-7-3-1-2-4-8-15/h5-6,9,16H,1-4,7-8H2
InChIKeyFAGUMXRWGFHXFR-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.55
Rot. Bonds1

About azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone

azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone (PubChem CID 113304514) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
PubChem CID113304514
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Nameazepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(F)cc1O)N1CCCCCC1
InChIInChI=1S/C13H16FNO2/c14-10-5-6-11(12(16)9-10)13(17)15-7-3-1-2-4-8-15/h5-6,9,16H,1-4,7-8H2
InChIKeyFAGUMXRWGFHXFR-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
(4-fluoro-2-hydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107015715
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
CID 107014936
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone (CID 113304514) is azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone is O=C(c1ccc(F)cc1O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is FAGUMXRWGFHXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-5-6-11(12(16)9-10)13(17)15-7-3-1-2-4-8-15/h5-6,9,16H,1-4,7-8H2.
What are the key properties of azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone?
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 237.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 113304514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).