N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide

C21H23F2N3O4 — CID 30835584

IUPACN'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCOCC2)cc1
InChIInChI=1S/C21H23F2N3O4/c1-29-16-5-2-14(3-6-16)19(26-8-10-30-11-9-26)13-24-20(27)21(28)25-18-7-4-15(22)12-17(18)23/h2-7,12,19H,8-11,13H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyWLGGSBCGHSCYKA-LJQANCHMSA-N
MW419.43 g/mol
LogP2.10
Rot. Bonds6

About N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide

N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 30835584) has the molecular formula C21H23F2N3O4 and a molecular weight of 419.43 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID30835584
Molecular FormulaC21H23F2N3O4
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC NameN'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCOc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCOCC2)cc1
InChIInChI=1S/C21H23F2N3O4/c1-29-16-5-2-14(3-6-16)19(26-8-10-30-11-9-26)13-24-20(27)21(28)25-18-7-4-15(22)12-17(18)23/h2-7,12,19H,8-11,13H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1
InChIKeyWLGGSBCGHSCYKA-LJQANCHMSA-N
XLogP2.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.10
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'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-(2,4-difluorophenyl)oxamide
CID 29095175
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589313
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-(2,4-difluorophenyl)oxamide
CID 29095174
3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide
CID 158930249
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 30835539
N'-(2-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670127
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835618
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 30835557

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide (CID 30835584) is N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide is COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCOCC2)cc1.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is WLGGSBCGHSCYKA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23F2N3O4/c1-29-16-5-2-14(3-6-16)19(26-8-10-30-11-9-26)13-24-20(27)21(28)25-18-7-4-15(22)12-17(18)23/h2-7,12,19H,8-11,13H2,1H3,(H,24,27)(H,25,28)/t19-/m1/s1.
What are the key properties of N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide?
N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 419.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 30835584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).