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

C21H22ClN3O5 — CID 30851197

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C21H22ClN3O5/c1-29-17-8-7-15(22)11-16(17)24-21(28)20(27)23-12-19(26)25-9-10-30-18(13-25)14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyBCJDAWKTAKXSPI-SFHVURJKSA-N
MW431.88 g/mol
LogP2.00
Rot. Bonds5

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

N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide (PubChem CID 30851197) has the molecular formula C21H22ClN3O5 and a molecular weight of 431.88 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
PubChem CID30851197
Molecular FormulaC21H22ClN3O5
Molecular Weight431.88 g/mol
Exact Mass431.12
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C21H22ClN3O5/c1-29-17-8-7-15(22)11-16(17)24-21(28)20(27)23-12-19(26)25-9-10-30-18(13-25)14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,27)(H,24,28)/t18-/m0/s1
InChIKeyBCJDAWKTAKXSPI-SFHVURJKSA-N
XLogP2.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 52.00
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

5-chloro-2-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894767
N'-(5-chloro-2-methoxyphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27443785
N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27375947
N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30851199
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129
N-(2-methoxy-5-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526391
N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27487199
2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)morpholine-4-carboxamide
CID 87034963
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
3-fluoro-4-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895102
5-chloro-2-methyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895132

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide (CID 30851197) is N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The InChIKey is BCJDAWKTAKXSPI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22ClN3O5/c1-29-17-8-7-15(22)11-16(17)24-21(28)20(27)23-12-19(26)25-9-10-30-18(13-25)14-5-3-2-4-6-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,27)(H,24,28)/t18-/m0/s1.
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide has a molecular weight of 431.88 g/mol, XLogP of 2.00, 5 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-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide is sourced from PubChem (CID 30851197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).