N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide

C16H21ClN2O2 — CID 25162341

IUPACN-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide
SMILESO=C(NCC(=O)N1CCCCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c17-14-9-5-4-8-13(14)16(21)18-12-15(20)19-10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,21)
InChIKeyIZYVHRQHIVASFY-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.86
Rot. Bonds3

About N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide

N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide (PubChem CID 25162341) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide
PubChem CID25162341
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide
SMILESO=C(NCC(=O)N1CCCCCCC1)c1ccccc1Cl
InChIInChI=1S/C16H21ClN2O2/c17-14-9-5-4-8-13(14)16(21)18-12-15(20)19-10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,21)
InChIKeyIZYVHRQHIVASFY-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide (CID 25162341) is N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide is O=C(NCC(=O)N1CCCCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is IZYVHRQHIVASFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-9-5-4-8-13(14)16(21)18-12-15(20)19-10-6-2-1-3-7-11-19/h4-5,8-9H,1-3,6-7,10-12H2,(H,18,21).
What are the key properties of N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide?
N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 308.81 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-yl)-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 25162341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).