4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide

C20H21ClN2O3 — CID 110367877

IUPAC4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)OCC2=O)cc1C
InChIInChI=1S/C20H21ClN2O3/c1-13-3-8-17(9-14(13)2)23-11-18(26-12-19(23)24)10-22-20(25)15-4-6-16(21)7-5-15/h3-9,18H,10-12H2,1-2H3,(H,22,25)
InChIKeyPQFICGYOFTZWKY-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.12
Rot. Bonds4

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

4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide (PubChem CID 110367877) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
PubChem CID110367877
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)OCC2=O)cc1C
InChIInChI=1S/C20H21ClN2O3/c1-13-3-8-17(9-14(13)2)23-11-18(26-12-19(23)24)10-22-20(25)15-4-6-16(21)7-5-15/h3-9,18H,10-12H2,1-2H3,(H,22,25)
InChIKeyPQFICGYOFTZWKY-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-4-propan-2-ylbenzamide
CID 110367409
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-3,4-dimethoxybenzamide
CID 110367860
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-fluorobenzamide
CID 110367849
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367475
N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110367863
N-[[4-(4-ethylphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367703
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367489
3-chloro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367650
3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367657
N-[[4-(4-fluorophenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367297
3-methyl-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366956

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide (CID 110367877) is 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide is Cc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)OCC2=O)cc1C.
What is the InChIKey of 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
The InChIKey is PQFICGYOFTZWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-3-8-17(9-14(13)2)23-11-18(26-12-19(23)24)10-22-20(25)15-4-6-16(21)7-5-15/h3-9,18H,10-12H2,1-2H3,(H,22,25).
What are the key properties of 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide?
4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide has a molecular weight of 372.85 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(3,4-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 110367877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).