3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide

C22H24F2N2O4 — CID 158930249

IUPAC3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide
SMILESCOc1ccc(C(CNC(=O)C(=O)Cc2ccc(F)c(F)c2)N2CCOCC2)cc1
InChIInChI=1S/C22H24F2N2O4/c1-29-17-5-3-16(4-6-17)20(26-8-10-30-11-9-26)14-25-22(28)21(27)13-15-2-7-18(23)19(24)12-15/h2-7,12,20H,8-11,13-14H2,1H3,(H,25,28)
InChIKeyPMGSDTZPRIPNAH-UHFFFAOYSA-N
MW418.44 g/mol
LogP2.27
Rot. Bonds8

About 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide

3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide (PubChem CID 158930249) has the molecular formula C22H24F2N2O4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide
PubChem CID158930249
Molecular FormulaC22H24F2N2O4
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide
SMILESCOc1ccc(C(CNC(=O)C(=O)Cc2ccc(F)c(F)c2)N2CCOCC2)cc1
InChIInChI=1S/C22H24F2N2O4/c1-29-17-5-3-16(4-6-17)20(26-8-10-30-11-9-26)14-25-22(28)21(27)13-15-2-7-18(23)19(24)12-15/h2-7,12,20H,8-11,13-14H2,1H3,(H,25,28)
InChIKeyPMGSDTZPRIPNAH-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N'-(2,4-difluorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835584
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589313
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
1-(4-chlorophenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8788342
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 30835539
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide (CID 158930249) is 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide is COc1ccc(C(CNC(=O)C(=O)Cc2ccc(F)c(F)c2)N2CCOCC2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide?
The InChIKey is PMGSDTZPRIPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O4/c1-29-17-5-3-16(4-6-17)20(26-8-10-30-11-9-26)14-25-22(28)21(27)13-15-2-7-18(23)19(24)12-15/h2-7,12,20H,8-11,13-14H2,1H3,(H,25,28).
What are the key properties of 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide?
3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide has a molecular weight of 418.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-oxopropanamide is sourced from PubChem (CID 158930249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).