N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide

C15H19ClN2O3 — CID 2989041

IUPACN-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CCCO1
InChIInChI=1S/C15H19ClN2O3/c16-11-3-4-12(17-15(19)14-2-1-7-21-14)13(10-11)18-5-8-20-9-6-18/h3-4,10,14H,1-2,5-9H2,(H,17,19)
InChIKeyORTHDPVVSXVPCE-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.29
Rot. Bonds3

About N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide

N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide (PubChem CID 2989041) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide
PubChem CID2989041
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CCCO1
InChIInChI=1S/C15H19ClN2O3/c16-11-3-4-12(17-15(19)14-2-1-7-21-14)13(10-11)18-5-8-20-9-6-18/h3-4,10,14H,1-2,5-9H2,(H,17,19)
InChIKeyORTHDPVVSXVPCE-UHFFFAOYSA-N
XLogP2.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide (CID 2989041) is N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide is O=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CCCO1.
What is the InChIKey of N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide?
The InChIKey is ORTHDPVVSXVPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-11-3-4-12(17-15(19)14-2-1-7-21-14)13(10-11)18-5-8-20-9-6-18/h3-4,10,14H,1-2,5-9H2,(H,17,19).
What are the key properties of N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide?
N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-morpholin-4-ylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2989041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).