(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide

C12H15ClN2O2 — CID 146049310

IUPAC(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(N)=O
InChIInChI=1S/C12H15ClN2O2/c1-8-7-17-11(6-15(8)12(14)16)9-4-2-3-5-10(9)13/h2-5,8,11H,6-7H2,1H3,(H2,14,16)/t8-,11-/m1/s1
InChIKeySRFOEMJAIXPPCF-LDYMZIIASA-N
MW254.72 g/mol
LogP2.18
Rot. Bonds1

About (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide

(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide (PubChem CID 146049310) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
PubChem CID146049310
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(N)=O
InChIInChI=1S/C12H15ClN2O2/c1-8-7-17-11(6-15(8)12(14)16)9-4-2-3-5-10(9)13/h2-5,8,11H,6-7H2,1H3,(H2,14,16)/t8-,11-/m1/s1
InChIKeySRFOEMJAIXPPCF-LDYMZIIASA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide (CID 146049310) is (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide is C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(N)=O.
What is the InChIKey of (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide?
The InChIKey is SRFOEMJAIXPPCF-LDYMZIIASA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-7-17-11(6-15(8)12(14)16)9-4-2-3-5-10(9)13/h2-5,8,11H,6-7H2,1H3,(H2,14,16)/t8-,11-/m1/s1.
What are the key properties of (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide?
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide is sourced from PubChem (CID 146049310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).