2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide

C19H18Cl2N2O3 — CID 41475117

IUPAC2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-7-6-14(10-16(15)21)22-18(24)11-17-19(25)26-9-8-23(17)12-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,24)/t17-/m1/s1
InChIKeyOBDCPWFMKYIRKF-QGZVFWFLSA-N
MW393.27 g/mol
LogP3.75
Rot. Bonds5

About 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide

2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 41475117) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID41475117
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-7-6-14(10-16(15)21)22-18(24)11-17-19(25)26-9-8-23(17)12-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,24)/t17-/m1/s1
InChIKeyOBDCPWFMKYIRKF-QGZVFWFLSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3-chlorophenyl)acetamide
CID 25420567
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 41281603
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-(4-nitrophenyl)acetamide
CID 40601796
dimethyl 5-[[2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41090664
2-[(3S)-4-benzyl-2-oxomorpholin-3-yl]-N-naphthalen-1-ylacetamide
CID 41281593
2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 41009155
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(1-methylindol-5-yl)acetamide
CID 44612078
(3R)-4-benzyl-3-phenylmorpholin-2-one
CID 12968270
2-(4-ethyl-2-oxomorpholin-3-yl)-N-(2-methylphenyl)acetamide
CID 44611957
ethyl 4-[[2-[(3S)-4-ethyl-2-oxomorpholin-3-yl]acetyl]amino]benzoate
CID 40566787
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide (CID 41475117) is 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide is O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is OBDCPWFMKYIRKF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-15-7-6-14(10-16(15)21)22-18(24)11-17-19(25)26-9-8-23(17)12-13-4-2-1-3-5-13/h1-7,10,17H,8-9,11-12H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide?
2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 393.27 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-benzyl-2-oxomorpholin-3-yl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 41475117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).