2-chloro-N-cyclooctyl-4-methylbenzamide

C16H22ClNO — CID 885646

IUPAC2-chloro-N-cyclooctyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-12-9-10-14(15(17)11-12)16(19)18-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,18,19)
InChIKeyUJVWJWQDIHYXDJ-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.49
Rot. Bonds2

About 2-chloro-N-cyclooctyl-4-methylbenzamide

2-chloro-N-cyclooctyl-4-methylbenzamide (PubChem CID 885646) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-chloro-N-cyclooctyl-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclooctyl-4-methylbenzamide
PubChem CID885646
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-chloro-N-cyclooctyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO/c1-12-9-10-14(15(17)11-12)16(19)18-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,18,19)
InChIKeyUJVWJWQDIHYXDJ-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclooctyl-4-methylbenzamide?
The IUPAC name of 2-chloro-N-cyclooctyl-4-methylbenzamide (CID 885646) is 2-chloro-N-cyclooctyl-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclooctyl-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-cyclooctyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclooctyl-4-methylbenzamide?
The InChIKey is UJVWJWQDIHYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12-9-10-14(15(17)11-12)16(19)18-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-cyclooctyl-4-methylbenzamide?
2-chloro-N-cyclooctyl-4-methylbenzamide has a molecular weight of 279.81 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclooctyl-4-methylbenzamide is sourced from PubChem (CID 885646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).