3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide

C19H18F2N2O4 — CID 110367657

IUPAC3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
SMILESCOc1cccc(N2CC(CNC(=O)c3ccc(F)c(F)c3)OCC2=O)c1
InChIInChI=1S/C19H18F2N2O4/c1-26-14-4-2-3-13(8-14)23-10-15(27-11-18(23)24)9-22-19(25)12-5-6-16(20)17(21)7-12/h2-8,15H,9-11H2,1H3,(H,22,25)
InChIKeyCDRSSIBRSZMATE-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.14
Rot. Bonds5

About 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide

3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide (PubChem CID 110367657) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
PubChem CID110367657
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
SMILESCOc1cccc(N2CC(CNC(=O)c3ccc(F)c(F)c3)OCC2=O)c1
InChIInChI=1S/C19H18F2N2O4/c1-26-14-4-2-3-13(8-14)23-10-15(27-11-18(23)24)9-22-19(25)12-5-6-16(20)17(21)7-12/h2-8,15H,9-11H2,1H3,(H,22,25)
InChIKeyCDRSSIBRSZMATE-UHFFFAOYSA-N
XLogP2.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-3-methoxybenzamide
CID 110367710
2-methoxy-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367630
ethyl N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]carbamate
CID 110367661
N-[[4-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
3,4-difluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548178
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,4-dimethoxybenzamide
CID 110367860
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide (CID 110367657) is 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide is COc1cccc(N2CC(CNC(=O)c3ccc(F)c(F)c3)OCC2=O)c1.
What is the InChIKey of 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The InChIKey is CDRSSIBRSZMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c1-26-14-4-2-3-13(8-14)23-10-15(27-11-18(23)24)9-22-19(25)12-5-6-16(20)17(21)7-12/h2-8,15H,9-11H2,1H3,(H,22,25).
What are the key properties of 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide has a molecular weight of 376.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 110367657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).