N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H17ClN2O3 — CID 25163836

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C15H17ClN2O3/c16-11-3-4-13(18-5-1-2-6-18)12(9-11)17-15(19)14-10-20-7-8-21-14/h3-4,9-10H,1-2,5-8H2,(H,17,19)
InChIKeyGRVKHZHUAJTKHT-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.77
Rot. Bonds3

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 25163836) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID25163836
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C15H17ClN2O3/c16-11-3-4-13(18-5-1-2-6-18)12(9-11)17-15(19)14-10-20-7-8-21-14/h3-4,9-10H,1-2,5-8H2,(H,17,19)
InChIKeyGRVKHZHUAJTKHT-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 25163836) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCC1)C1=COCCO1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is GRVKHZHUAJTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-11-3-4-13(18-5-1-2-6-18)12(9-11)17-15(19)14-10-20-7-8-21-14/h3-4,9-10H,1-2,5-8H2,(H,17,19).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 25163836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).