azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone

C15H21ClN2O — CID 62173337

IUPACazocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(Cl)cc1C(=O)N1CCCCCCC1
InChIInChI=1S/C15H21ClN2O/c1-17-14-8-7-12(16)11-13(14)15(19)18-9-5-3-2-4-6-10-18/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyGKLYMSPVODILHL-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.79
Rot. Bonds2

About azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone

azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone (PubChem CID 62173337) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
PubChem CID62173337
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Nameazocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
SMILESCNc1ccc(Cl)cc1C(=O)N1CCCCCCC1
InChIInChI=1S/C15H21ClN2O/c1-17-14-8-7-12(16)11-13(14)15(19)18-9-5-3-2-4-6-10-18/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyGKLYMSPVODILHL-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(azepane-1-carbonyl)-4-chlorophenyl]methanesulfonamide
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2-[4-chloro-2-(piperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
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[5-chloro-2-(methylamino)phenyl]-(4-propylpiperazin-1-yl)methanone
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[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-chloro-2-(methylamino)phenyl]methanone
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N-[4-chloro-2-(piperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
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N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119711940
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CID 104960487
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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone?
The IUPAC name of azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone (CID 62173337) is azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone.
What is the SMILES notation for azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone?
The canonical SMILES for azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone is CNc1ccc(Cl)cc1C(=O)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone?
The InChIKey is GKLYMSPVODILHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-17-14-8-7-12(16)11-13(14)15(19)18-9-5-3-2-4-6-10-18/h7-8,11,17H,2-6,9-10H2,1H3.
What are the key properties of azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone?
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone has a molecular weight of 280.80 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone is sourced from PubChem (CID 62173337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).