azocan-1-yl-(3-bromo-4-chlorophenyl)methanone

C14H17BrClNO — CID 103841525

IUPACazocan-1-yl-(3-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)N1CCCCCCC1
InChIInChI=1S/C14H17BrClNO/c15-12-10-11(6-7-13(12)16)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9H2
InChIKeyIYKRSGPKUCBLBF-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.51
Rot. Bonds1

About azocan-1-yl-(3-bromo-4-chlorophenyl)methanone

azocan-1-yl-(3-bromo-4-chlorophenyl)methanone (PubChem CID 103841525) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is azocan-1-yl-(3-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-bromo-4-chlorophenyl)methanone
PubChem CID103841525
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Nameazocan-1-yl-(3-bromo-4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Br)c1)N1CCCCCCC1
InChIInChI=1S/C14H17BrClNO/c15-12-10-11(6-7-13(12)16)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9H2
InChIKeyIYKRSGPKUCBLBF-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
(3-bromo-4-chlorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 107993582
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730
4-(3-bromo-4-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102847827
(4-amino-3-bromophenyl)-pyrrolidin-1-ylmethanone
CID 54850336
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107999537
(4-bromo-3,5-dichlorophenyl)-piperidin-1-ylmethanone
CID 50849504
1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103841681
1-(3-bromo-4-chlorobenzoyl)piperidine-3-carbonitrile
CID 114025845
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-bromo-4-chlorophenyl)methanone?
The IUPAC name of azocan-1-yl-(3-bromo-4-chlorophenyl)methanone (CID 103841525) is azocan-1-yl-(3-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for azocan-1-yl-(3-bromo-4-chlorophenyl)methanone?
The canonical SMILES for azocan-1-yl-(3-bromo-4-chlorophenyl)methanone is O=C(c1ccc(Cl)c(Br)c1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(3-bromo-4-chlorophenyl)methanone?
The InChIKey is IYKRSGPKUCBLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c15-12-10-11(6-7-13(12)16)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9H2.
What are the key properties of azocan-1-yl-(3-bromo-4-chlorophenyl)methanone?
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone has a molecular weight of 330.65 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-bromo-4-chlorophenyl)methanone is sourced from PubChem (CID 103841525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).