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

C16H21ClN2O3 — CID 124953809

IUPAC(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@@](C)(C(=O)N(C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN2O3/c1-12(20)19-8-9-22-16(2,11-19)15(21)18(3)10-13-4-6-14(17)7-5-13/h4-7H,8-11H2,1-3H3/t16-/m1/s1
InChIKeyDXVUBZWZKAHPLL-MRXNPFEDSA-N
MW324.81 g/mol
LogP1.94
Rot. Bonds3

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

(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide (PubChem CID 124953809) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
PubChem CID124953809
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@@](C)(C(=O)N(C)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN2O3/c1-12(20)19-8-9-22-16(2,11-19)15(21)18(3)10-13-4-6-14(17)7-5-13/h4-7H,8-11H2,1-3H3/t16-/m1/s1
InChIKeyDXVUBZWZKAHPLL-MRXNPFEDSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953808
(2R)-4-[2-(4-chlorophenyl)acetyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839493
(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124940760
2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 78784523
1-acetyl-N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-N-methylpiperidine-3-carboxamide
CID 128985956
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094656
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide (CID 124953809) is (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide is CC(=O)N1CCO[C@@](C)(C(=O)N(C)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
The InChIKey is DXVUBZWZKAHPLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-12(20)19-8-9-22-16(2,11-19)15(21)18(3)10-13-4-6-14(17)7-5-13/h4-7H,8-11H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide?
(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 124953809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).