(2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C15H20FNO2 — CID 107404177

IUPAC(2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C)(O)CC2)c1F
InChIInChI=1S/C15H20FNO2/c1-11-5-3-6-12(13(11)16)14(18)17-9-4-7-15(2,19)8-10-17/h3,5-6,19H,4,7-10H2,1-2H3
InChIKeyZLSAWULJMYXHBB-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.51
Rot. Bonds1

About (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107404177) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107404177
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C)(O)CC2)c1F
InChIInChI=1S/C15H20FNO2/c1-11-5-3-6-12(13(11)16)14(18)17-9-4-7-15(2,19)8-10-17/h3,5-6,19H,4,7-10H2,1-2H3
InChIKeyZLSAWULJMYXHBB-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
Hexamide
CID 145704
Azepan-1-yl(3-methylphenyl)methanone
CID 247215
1-(2,6-Difluorobenzoyl)azepane
CID 588249
1-(3,5-Dimethylbenzoyl)azepane
CID 912590
N-butyl-N-ethyl-2-fluorobenzamide
CID 2164029
Benzamide, N,N-diethyl-3-(trifluoromethyl)-
CID 11831683
1-[3-(Trifluoromethyl)benzoyl]azepane
CID 1245253
Azepan-1-yl-(3,4-difluoro-phenyl)-methanone
CID 728795
N-butyl-N-ethyl-4-fluorobenzamide
CID 2290498
Azepan-1-yl-(3-fluorophenyl)methanone
CID 3848726
N,N-diethyl-4-fluorobenzamide
CID 3710899

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107404177) is (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is Cc1cccc(C(=O)N2CCCC(C)(O)CC2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is ZLSAWULJMYXHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-5-3-6-12(13(11)16)14(18)17-9-4-7-15(2,19)8-10-17/h3,5-6,19H,4,7-10H2,1-2H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 265.33 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107404177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).