azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone

C19H26ClNO — CID 66662277

IUPACazepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H26ClNO/c20-17-10-8-16(9-11-17)19(12-4-3-5-13-19)18(22)21-14-6-1-2-7-15-21/h8-11H,1-7,12-15H2
InChIKeySWBZUDAMHHZRMD-UHFFFAOYSA-N
MW319.88 g/mol
LogP4.94
Rot. Bonds2

About azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone

azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone (PubChem CID 66662277) has the molecular formula C19H26ClNO and a molecular weight of 319.88 g/mol. Its IUPAC name is azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone
PubChem CID66662277
Molecular FormulaC19H26ClNO
Molecular Weight319.88 g/mol
Exact Mass319.17
IUPAC Nameazepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone
SMILESO=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C19H26ClNO/c20-17-10-8-16(9-11-17)19(12-4-3-5-13-19)18(22)21-14-6-1-2-7-15-21/h8-11H,1-7,12-15H2
InChIKeySWBZUDAMHHZRMD-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.88
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone?
The IUPAC name of azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone (CID 66662277) is azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone?
The canonical SMILES for azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone is O=C(N1CCCCCC1)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone?
The InChIKey is SWBZUDAMHHZRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO/c20-17-10-8-16(9-11-17)19(12-4-3-5-13-19)18(22)21-14-6-1-2-7-15-21/h8-11H,1-7,12-15H2.
What are the key properties of azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone?
azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone has a molecular weight of 319.88 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(4-chlorophenyl)cyclohexyl]methanone is sourced from PubChem (CID 66662277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).