4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide

C19H18Cl2N2O3 — CID 25020251

IUPAC4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-7-6-14(16(21)8-15)9-22-19(25)17-11-26-12-18(24)23(17)10-13-4-2-1-3-5-13/h1-8,17H,9-12H2,(H,22,25)
InChIKeyOSPLEICGIDCQNP-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.04
Rot. Bonds5

About 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide

4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide (PubChem CID 25020251) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
PubChem CID25020251
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-7-6-14(16(21)8-15)9-22-19(25)17-11-26-12-18(24)23(17)10-13-4-2-1-3-5-13/h1-8,17H,9-12H2,(H,22,25)
InChIKeyOSPLEICGIDCQNP-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide (CID 25020251) is 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is OSPLEICGIDCQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-15-7-6-14(16(21)8-15)9-22-19(25)17-11-26-12-18(24)23(17)10-13-4-2-1-3-5-13/h1-8,17H,9-12H2,(H,22,25).
What are the key properties of 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(2,4-dichlorophenyl)methyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 25020251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).