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

C19H19ClN2O3 — CID 110367475

IUPACN-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CN(c3cccc(Cl)c3)C(=O)CO2)c1
InChIInChI=1S/C19H19ClN2O3/c1-13-4-2-5-14(8-13)19(24)21-10-17-11-22(18(23)12-25-17)16-7-3-6-15(20)9-16/h2-9,17H,10-12H2,1H3,(H,21,24)
InChIKeyPGQIXVUPGSTWRX-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.81
Rot. Bonds4

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

N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide (PubChem CID 110367475) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
PubChem CID110367475
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CN(c3cccc(Cl)c3)C(=O)CO2)c1
InChIInChI=1S/C19H19ClN2O3/c1-13-4-2-5-14(8-13)19(24)21-10-17-11-22(18(23)12-25-17)16-7-3-6-15(20)9-16/h2-9,17H,10-12H2,1H3,(H,21,24)
InChIKeyPGQIXVUPGSTWRX-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(4-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide
CID 110367545
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]acetamide
CID 110367489
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
N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]-4-methylbenzamide
CID 110367624
2-chloro-N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-6-fluorobenzamide
CID 110367504
3,4-difluoro-N-[[4-(3-methoxyphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367657
1-(3-chlorophenyl)-3-[[4-(3,5-dimethylphenyl)-5-oxomorpholin-2-yl]methyl]urea
CID 110367958
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide (CID 110367475) is N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC2CN(c3cccc(Cl)c3)C(=O)CO2)c1.
What is the InChIKey of N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
The InChIKey is PGQIXVUPGSTWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13-4-2-5-14(8-13)19(24)21-10-17-11-22(18(23)12-25-17)16-7-3-6-15(20)9-16/h2-9,17H,10-12H2,1H3,(H,21,24).
What are the key properties of N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide?
N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide has a molecular weight of 358.83 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)-5-oxomorpholin-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 110367475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).