2-chloro-4-pyrrolidin-3-yloxybenzamide

C11H13ClN2O2 — CID 62945417

IUPAC2-chloro-4-pyrrolidin-3-yloxybenzamide
SMILESNC(=O)c1ccc(OC2CCNC2)cc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-10-5-7(1-2-9(10)11(13)15)16-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15)
InChIKeyRMZXYQALRCEJFX-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.18
Rot. Bonds3

About 2-chloro-4-pyrrolidin-3-yloxybenzamide

2-chloro-4-pyrrolidin-3-yloxybenzamide (PubChem CID 62945417) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-4-pyrrolidin-3-yloxybenzamide.

Molecular Properties

Compound Name2-chloro-4-pyrrolidin-3-yloxybenzamide
PubChem CID62945417
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-4-pyrrolidin-3-yloxybenzamide
SMILESNC(=O)c1ccc(OC2CCNC2)cc1Cl
InChIInChI=1S/C11H13ClN2O2/c12-10-5-7(1-2-9(10)11(13)15)16-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15)
InChIKeyRMZXYQALRCEJFX-UHFFFAOYSA-N
XLogP1.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrrolidin-3-yloxybenzamide?
The IUPAC name of 2-chloro-4-pyrrolidin-3-yloxybenzamide (CID 62945417) is 2-chloro-4-pyrrolidin-3-yloxybenzamide.
What is the SMILES notation for 2-chloro-4-pyrrolidin-3-yloxybenzamide?
The canonical SMILES for 2-chloro-4-pyrrolidin-3-yloxybenzamide is NC(=O)c1ccc(OC2CCNC2)cc1Cl.
What is the InChIKey of 2-chloro-4-pyrrolidin-3-yloxybenzamide?
The InChIKey is RMZXYQALRCEJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-5-7(1-2-9(10)11(13)15)16-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H2,13,15).
What are the key properties of 2-chloro-4-pyrrolidin-3-yloxybenzamide?
2-chloro-4-pyrrolidin-3-yloxybenzamide has a molecular weight of 240.69 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrrolidin-3-yloxybenzamide is sourced from PubChem (CID 62945417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).