(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide

C16H21ClN2O3 — CID 95326549

IUPAC(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O3/c17-14-6-2-1-5-13(14)15-11-19(7-9-22-15)16(20)18-10-12-4-3-8-21-12/h1-2,5-6,12,15H,3-4,7-11H2,(H,18,20)/t12-,15+/m0/s1
InChIKeyQXBXGKIZMYBAEK-SWLSCSKDSA-N
MW324.81 g/mol
LogP2.60
Rot. Bonds3

About (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide

(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 95326549) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
PubChem CID95326549
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C16H21ClN2O3/c17-14-6-2-1-5-13(14)15-11-19(7-9-22-15)16(20)18-10-12-4-3-8-21-12/h1-2,5-6,12,15H,3-4,7-11H2,(H,18,20)/t12-,15+/m0/s1
InChIKeyQXBXGKIZMYBAEK-SWLSCSKDSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
CID 166237814
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
CID 95336958
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119318503
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide (CID 95326549) is (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide is O=C(NC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2Cl)C1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is QXBXGKIZMYBAEK-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-14-6-2-1-5-13(14)15-11-19(7-9-22-15)16(20)18-10-12-4-3-8-21-12/h1-2,5-6,12,15H,3-4,7-11H2,(H,18,20)/t12-,15+/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide?
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95326549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).