2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide

C19H18Cl2N2O3 — CID 110367489

IUPAC2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1CN(c2cccc(Cl)c2)C(=O)CO1
InChIInChI=1S/C19H18Cl2N2O3/c20-14-6-4-13(5-7-14)8-18(24)22-10-17-11-23(19(25)12-26-17)16-3-1-2-15(21)9-16/h1-7,9,17H,8,10-12H2,(H,22,24)
InChIKeyGCAARNPWRCULNF-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.08
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide

2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide (PubChem CID 110367489) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
PubChem CID110367489
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC1CN(c2cccc(Cl)c2)C(=O)CO1
InChIInChI=1S/C19H18Cl2N2O3/c20-14-6-4-13(5-7-14)8-18(24)22-10-17-11-23(19(25)12-26-17)16-3-1-2-15(21)9-16/h1-7,9,17H,8,10-12H2,(H,22,24)
InChIKeyGCAARNPWRCULNF-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367477
2-chloro-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-6-fluorobenzamide
CID 110367504
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877
2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367958
2-(4-ethoxyphenyl)-N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367721
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
CID 110367409
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide (CID 110367489) is 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC1CN(c2cccc(Cl)c2)C(=O)CO1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide?
The InChIKey is GCAARNPWRCULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-14-6-4-13(5-7-14)8-18(24)22-10-17-11-23(19(25)12-26-17)16-3-1-2-15(21)9-16/h1-7,9,17H,8,10-12H2,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide has a molecular weight of 393.27 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 110367489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).