2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide

C19H24ClNO2 — CID 156609525

IUPAC2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1C2CCOC2C1C1CCCC1
InChIInChI=1S/C19H24ClNO2/c1-11-5-4-8-14(20)15(11)19(22)21-17-13-9-10-23-18(13)16(17)12-6-2-3-7-12/h4-5,8,12-13,16-18H,2-3,6-7,9-10H2,1H3,(H,21,22)
InChIKeyYMGVYDAORWIKAU-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.97
Rot. Bonds3

About 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide

2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide (PubChem CID 156609525) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide
PubChem CID156609525
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1C2CCOC2C1C1CCCC1
InChIInChI=1S/C19H24ClNO2/c1-11-5-4-8-14(20)15(11)19(22)21-17-13-9-10-23-18(13)16(17)12-6-2-3-7-12/h4-5,8,12-13,16-18H,2-3,6-7,9-10H2,1H3,(H,21,22)
InChIKeyYMGVYDAORWIKAU-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide?
The IUPAC name of 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide (CID 156609525) is 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide?
The canonical SMILES for 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)NC1C2CCOC2C1C1CCCC1.
What is the InChIKey of 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide?
The InChIKey is YMGVYDAORWIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-11-5-4-8-14(20)15(11)19(22)21-17-13-9-10-23-18(13)16(17)12-6-2-3-7-12/h4-5,8,12-13,16-18H,2-3,6-7,9-10H2,1H3,(H,21,22).
What are the key properties of 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide?
2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide has a molecular weight of 333.86 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-methylbenzamide is sourced from PubChem (CID 156609525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).