N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide

C21H24ClN3O3 — CID 27557843

IUPACN'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
SMILESO=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-17-9-4-5-10-18(17)24-21(27)20(26)23-11-6-12-25-13-14-28-19(15-25)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJLAFHEWBBQNAOE-LJQANCHMSA-N
MW401.89 g/mol
LogP2.86
Rot. Bonds6

About N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide

N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide (PubChem CID 27557843) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
PubChem CID27557843
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
SMILESO=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-17-9-4-5-10-18(17)24-21(27)20(26)23-11-6-12-25-13-14-28-19(15-25)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyJLAFHEWBBQNAOE-LJQANCHMSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylsulfanylphenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16893134
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-cyclopropyl-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]oxamide
CID 27557681
methyl 4-[[2-oxo-2-[3-(2-phenylmorpholin-4-yl)propylamino]acetyl]amino]benzoate
CID 16893069
N'-[(4-fluorophenyl)methyl]-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557780
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 27463009
N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]-N'-propan-2-yloxamide
CID 27532480
2-chloro-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866428
N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27443785
5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892507
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide (CID 27557843) is N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide is O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide?
The InChIKey is JLAFHEWBBQNAOE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-17-9-4-5-10-18(17)24-21(27)20(26)23-11-6-12-25-13-14-28-19(15-25)16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide?
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide has a molecular weight of 401.89 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide is sourced from PubChem (CID 27557843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).