N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

C21H24ClN3O4 — CID 27443785

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H24ClN3O4/c1-28-18-8-7-16(22)13-17(18)24-21(27)20(26)23-9-10-25-11-12-29-19(14-25)15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyNICCUCJDYSBFOF-LJQANCHMSA-N
MW417.89 g/mol
LogP2.48
Rot. Bonds6

About N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide

N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (PubChem CID 27443785) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
PubChem CID27443785
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H24ClN3O4/c1-28-18-8-7-16(22)13-17(18)24-21(27)20(26)23-9-10-25-11-12-29-19(14-25)15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyNICCUCJDYSBFOF-LJQANCHMSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27487199
N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851197
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
N'-(5-methyl-1,2-oxazol-3-yl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27486360
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27557975
N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
2-(4-chlorophenoxy)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851045
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
N'-cyclopentyl-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16892936
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069
2-chloro-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866428
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide (CID 27443785) is N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The InChIKey is NICCUCJDYSBFOF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-28-18-8-7-16(22)13-17(18)24-21(27)20(26)23-9-10-25-11-12-29-19(14-25)15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide has a molecular weight of 417.89 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide is sourced from PubChem (CID 27443785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).