N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide

C16H22Cl2N2O2 — CID 8899220

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C16H22Cl2N2O2/c1-10-7-20(8-11(2)22-10)9-16(21)19-12(3)14-5-4-13(17)6-15(14)18/h4-6,10-12H,7-9H2,1-3H3,(H,19,21)/t10-,11+,12-/m0/s1
InChIKeyHWYCVTXNBWWIIS-TUAOUCFPSA-N
MW345.27 g/mol
LogP3.28
Rot. Bonds4

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 8899220) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID8899220
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C16H22Cl2N2O2/c1-10-7-20(8-11(2)22-10)9-16(21)19-12(3)14-5-4-13(17)6-15(14)18/h4-6,10-12H,7-9H2,1-3H3,(H,19,21)/t10-,11+,12-/m0/s1
InChIKeyHWYCVTXNBWWIIS-TUAOUCFPSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide with MolForge

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677677
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894515
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894518
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 30725870
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 98798810
ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175104
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide
CID 11919459
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532308
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
cis-(1S,2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31200966

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 8899220) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@@H]1CN(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H](C)O1.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is HWYCVTXNBWWIIS-TUAOUCFPSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-10-7-20(8-11(2)22-10)9-16(21)19-12(3)14-5-4-13(17)6-15(14)18/h4-6,10-12H,7-9H2,1-3H3,(H,19,21)/t10-,11+,12-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide has a molecular weight of 345.27 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 8899220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).