(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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Related Compounds

2-(4-Chlorophenyl)-3-methylmorpholine
CID 215992
2-(2-Chlorophenyl)-4-propylmorpholine
CID 15006483
2-(3-Chlorophenyl)-4-propylmorpholine
CID 15006484
2-(2-Chlorophenyl)morpholine
CID 3739938
2-(3-Chlorophenyl)-5-methylmorpholine
CID 43367106
[3-[(2-Chlorophenyl)-(4-chlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 11441515
2-[2-(2-chlorophenyl)morpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 53599141
3-Chlorophenmetrazine
CID 43350791
(2S,5R)-2-(2-Chlorophenyl)-5-methylmorpholine;hydrochloride
CID 132351055
(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholine
CID 39242981
4-Formyl-3-methyl-2-phenyl-morpholine
CID 71322065
(2S)-2-[(2-chlorophenyl)methyl]-N-ethylmorpholine-4-carboxamide
CID 25384030

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).