N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide

C21H23ClN2O3 — CID 110367409

IUPACN-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)CO2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-14(2)15-3-5-16(6-4-15)21(26)23-11-19-12-24(20(25)13-27-19)18-9-7-17(22)8-10-18/h3-10,14,19H,11-13H2,1-2H3,(H,23,26)
InChIKeyGMEMIGAIGASXGA-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.63
Rot. Bonds5

About N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide

N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide (PubChem CID 110367409) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
PubChem CID110367409
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)CO2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-14(2)15-3-5-16(6-4-15)21(26)23-11-19-12-24(20(25)13-27-19)18-9-7-17(22)8-10-18/h3-10,14,19H,11-13H2,1-2H3,(H,23,26)
InChIKeyGMEMIGAIGASXGA-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367877
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 110367798
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]pyridine-4-carboxamide
CID 110367334
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367489
N-[[5-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]methyl]benzenesulfonamide
CID 110367829
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,4-dimethoxybenzamide
CID 110367860

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide (CID 110367409) is N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)CO2)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide?
The InChIKey is GMEMIGAIGASXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14(2)15-3-5-16(6-4-15)21(26)23-11-19-12-24(20(25)13-27-19)18-9-7-17(22)8-10-18/h3-10,14,19H,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide?
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide has a molecular weight of 386.88 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 110367409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).