azepan-1-yl-(2,6-dichlorophenyl)methanone

C13H15Cl2NO — CID 644555

IUPACazepan-1-yl-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2
InChIKeyIRDDDZSVZDWIIT-UHFFFAOYSA-N
MW272.17 g/mol
LogP4.01
Rot. Bonds1

About azepan-1-yl-(2,6-dichlorophenyl)methanone

azepan-1-yl-(2,6-dichlorophenyl)methanone (PubChem CID 644555) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is azepan-1-yl-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2,6-dichlorophenyl)methanone
PubChem CID644555
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Nameazepan-1-yl-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCCCCC1
InChIInChI=1S/C13H15Cl2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2
InChIKeyIRDDDZSVZDWIIT-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diazepan-1-yl-(2,6-dichlorophenyl)methanone;hydrochloride
CID 119417664
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
methyl 4-(2,6-dichlorobenzoyl)-1,4-diazepane-1-carboxylate
CID 71982036
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
(2,6-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6943179
(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
(2-amino-6-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 63660206
azepan-1-yl-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 1070129

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2,6-dichlorophenyl)methanone?
The IUPAC name of azepan-1-yl-(2,6-dichlorophenyl)methanone (CID 644555) is azepan-1-yl-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for azepan-1-yl-(2,6-dichlorophenyl)methanone?
The canonical SMILES for azepan-1-yl-(2,6-dichlorophenyl)methanone is O=C(c1c(Cl)cccc1Cl)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2,6-dichlorophenyl)methanone?
The InChIKey is IRDDDZSVZDWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2.
What are the key properties of azepan-1-yl-(2,6-dichlorophenyl)methanone?
azepan-1-yl-(2,6-dichlorophenyl)methanone has a molecular weight of 272.17 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 644555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).