N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide

C19H18ClN3O3 — CID 167972136

IUPACN-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide
SMILESO=C1CCN(CC(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C19H18ClN3O3/c20-15-6-8-16(9-7-15)23(12-14-4-2-1-3-5-14)18(25)13-22-11-10-17(24)21-19(22)26/h1-9H,10-13H2,(H,21,24,26)
InChIKeySRIRLAWKGWHJHB-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.82
Rot. Bonds5

About N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide

N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide (PubChem CID 167972136) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide
PubChem CID167972136
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide
SMILESO=C1CCN(CC(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)C(=O)N1
InChIInChI=1S/C19H18ClN3O3/c20-15-6-8-16(9-7-15)23(12-14-4-2-1-3-5-14)18(25)13-22-11-10-17(24)21-19(22)26/h1-9H,10-13H2,(H,21,24,26)
InChIKeySRIRLAWKGWHJHB-UHFFFAOYSA-N
XLogP2.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide (CID 167972136) is N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide is O=C1CCN(CC(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)C(=O)N1.
What is the InChIKey of N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide?
The InChIKey is SRIRLAWKGWHJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-6-8-16(9-7-15)23(12-14-4-2-1-3-5-14)18(25)13-22-11-10-17(24)21-19(22)26/h1-9H,10-13H2,(H,21,24,26).
What are the key properties of N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide?
N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide has a molecular weight of 371.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 167972136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).