N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide

C20H19ClFN3O4 — CID 27375947

IUPACN'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESO=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H19ClFN3O4/c21-15-10-14(6-7-16(15)22)24-20(28)19(27)23-11-18(26)25-8-9-29-17(12-25)13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,23,27)(H,24,28)/t17-/m0/s1
InChIKeyGTWQRMVMVLZCSS-KRWDZBQOSA-N
MW419.84 g/mol
LogP2.13
Rot. Bonds4

About N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide

N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide (PubChem CID 27375947) has the molecular formula C20H19ClFN3O4 and a molecular weight of 419.84 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
PubChem CID27375947
Molecular FormulaC20H19ClFN3O4
Molecular Weight419.84 g/mol
Exact Mass419.10
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
SMILESO=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H19ClFN3O4/c21-15-10-14(6-7-16(15)22)24-20(28)19(27)23-11-18(26)25-8-9-29-17(12-25)13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,23,27)(H,24,28)/t17-/m0/s1
InChIKeyGTWQRMVMVLZCSS-KRWDZBQOSA-N
XLogP2.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 52.13
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

N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30851199
N'-(4-methoxyphenyl)-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]oxamide
CID 16894925
N'-(5-chloro-2-methoxyphenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851197
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
2-(4-chlorophenoxy)-N-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 27375916
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-oxo-2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 30851180
5-chloro-2-methoxy-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894767
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide (CID 27375947) is N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide is O=C(NCC(=O)N1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
The InChIKey is GTWQRMVMVLZCSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19ClFN3O4/c21-15-10-14(6-7-16(15)22)24-20(28)19(27)23-11-18(26)25-8-9-29-17(12-25)13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,23,27)(H,24,28)/t17-/m0/s1.
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide has a molecular weight of 419.84 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]oxamide is sourced from PubChem (CID 27375947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).