(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide

C15H19ClN2O3 — CID 95839493

IUPAC(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(C(=O)Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C15H19ClN2O3/c1-15(14(20)17-2)10-18(7-8-21-15)13(19)9-11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyFENKOLQOLFVLNZ-OAHLLOKOSA-N
MW310.78 g/mol
LogP1.25
Rot. Bonds3

About (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide

(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 95839493) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
PubChem CID95839493
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(C(=O)Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C15H19ClN2O3/c1-15(14(20)17-2)10-18(7-8-21-15)13(19)9-11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyFENKOLQOLFVLNZ-OAHLLOKOSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,2-dimethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]morpholine-2-carboxamide
CID 124999466
4-[2-(4-chloropyrazol-1-yl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 110094868
4-[2-methyl-2-(methylcarbamoyl)morpholin-4-yl]-4-oxobutanoic acid
CID 110106954
(2S)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953808
(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953809
(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
CID 125001654
(2R)-4-[2-(methanesulfonamido)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124955601
(2R)-N,2-dimethyl-4-[2-(4-methylpiperidin-1-yl)acetyl]morpholine-2-carboxamide
CID 124998027
(2R)-2-methyl-4-(2-naphthalen-2-ylacetyl)morpholine-2-carboxamide
CID 124986005
2-[2-[(4-chlorophenoxy)methyl]-4-[2-(4-chlorophenyl)acetyl]morpholin-2-yl]acetamide
CID 132772464
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide (CID 95839493) is (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide is CNC(=O)[C@@]1(C)CN(C(=O)Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is FENKOLQOLFVLNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-15(14(20)17-2)10-18(7-8-21-15)13(19)9-11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide?
(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 95839493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).