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

C14H18FNO — CID 112702240

IUPACazepan-1-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H18FNO/c1-11-10-12(15)6-7-13(11)14(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyZGQQIUPAOUAICA-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.15
Rot. Bonds1

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

azepan-1-yl-(4-fluoro-2-methylphenyl)methanone (PubChem CID 112702240) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is azepan-1-yl-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-fluoro-2-methylphenyl)methanone
PubChem CID112702240
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Nameazepan-1-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CCCCCC1
InChIInChI=1S/C14H18FNO/c1-11-10-12(15)6-7-13(11)14(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKeyZGQQIUPAOUAICA-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
1-[4-(4-fluoro-2-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 115745793
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(4-fluoro-2-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130766014
(4-fluoro-2-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313557
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of azepan-1-yl-(4-fluoro-2-methylphenyl)methanone (CID 112702240) is azepan-1-yl-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is ZGQQIUPAOUAICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11-10-12(15)6-7-13(11)14(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of azepan-1-yl-(4-fluoro-2-methylphenyl)methanone?
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 112702240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).