(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone

C17H24FNO2 — CID 79540818

IUPAC(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCCCCC1CC(C)O
InChIInChI=1S/C17H24FNO2/c1-12-7-8-14(18)11-16(12)17(21)19-9-5-3-4-6-15(19)10-13(2)20/h7-8,11,13,15,20H,3-6,9-10H2,1-2H3
InChIKeyRPDZZMGAGZLPPN-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.29
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone

(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone (PubChem CID 79540818) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
PubChem CID79540818
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
SMILESCc1ccc(F)cc1C(=O)N1CCCCCC1CC(C)O
InChIInChI=1S/C17H24FNO2/c1-12-7-8-14(18)11-16(12)17(21)19-9-5-3-4-6-15(19)10-13(2)20/h7-8,11,13,15,20H,3-6,9-10H2,1-2H3
InChIKeyRPDZZMGAGZLPPN-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-2-hydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107015758
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 79549414
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636460
(4-fluoro-2-hydroxyphenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 107015756
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
[2-(bromomethyl)pyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 80677688
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
(2-fluoro-5-methylphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546955
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone (CID 79540818) is (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone is Cc1ccc(F)cc1C(=O)N1CCCCCC1CC(C)O.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
The InChIKey is RPDZZMGAGZLPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12-7-8-14(18)11-16(12)17(21)19-9-5-3-4-6-15(19)10-13(2)20/h7-8,11,13,15,20H,3-6,9-10H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone?
(5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone has a molecular weight of 293.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone is sourced from PubChem (CID 79540818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).