N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide

C21H24ClN3O3 — CID 16893002

IUPACN'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-18-9-5-4-8-17(18)14-24-21(27)20(26)23-10-11-25-12-13-28-19(15-25)16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,23,26)(H,24,27)
InChIKeyWSPILVDEBJPBKI-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.15
Rot. Bonds6

About N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide

N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide (PubChem CID 16893002) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
PubChem CID16893002
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide
SMILESO=C(NCCN1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O3/c22-18-9-5-4-8-17(18)14-24-21(27)20(26)23-10-11-25-12-13-28-19(15-25)16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,23,26)(H,24,27)
InChIKeyWSPILVDEBJPBKI-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-2-[(3,5-dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338346
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-chlorophenyl)ethyl]piperazine
CID 44338518
1-[2-[(3-Chlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338557
1-[(1R)-2-[(3,5-dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338639
1-[2-[(3,5-Dichlorophenyl)methoxy]-1-phenylethyl]piperazine
CID 44358334
N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide
CID 4878610
2-chloro-6-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzamide
CID 16892429
N1-(4-fluorobenzyl)-N2-(3-(2-phenylmorpholino)propyl)oxalamide
CID 16893037
N1-(3-chloro-4-fluorophenyl)-N2-(3-(2-phenylmorpholino)propyl)oxalamide
CID 16893053
N1-(3-chloro-4-fluorophenyl)-N2-(4-(2-phenylmorpholino)butyl)oxalamide
CID 16893138
2-chloro-6-fluoro-N-(2-oxo-2-(2-phenylmorpholino)ethyl)benzamide
CID 16894774
N1-(4-fluorobenzyl)-N2-(2-oxo-2-(2-phenylmorpholino)ethyl)oxalamide
CID 16894937

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide (CID 16893002) is N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide is O=C(NCCN1CCOC(c2ccccc2)C1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
The InChIKey is WSPILVDEBJPBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-18-9-5-4-8-17(18)14-24-21(27)20(26)23-10-11-25-12-13-28-19(15-25)16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,23,26)(H,24,27).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide?
N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide has a molecular weight of 401.89 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-[2-(2-phenylmorpholin-4-yl)ethyl]oxamide is sourced from PubChem (CID 16893002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).