1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione

C13H15ClN2O2 — CID 64882792

IUPAC1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9-6-12(17)15-7-13(18)16(9)8-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyHYLBEXZMBHVMKX-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.58
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione

1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione (PubChem CID 64882792) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione
PubChem CID64882792
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione
SMILESCC1CC(=O)NCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9-6-12(17)15-7-13(18)16(9)8-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,17)
InChIKeyHYLBEXZMBHVMKX-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione (CID 64882792) is 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione is CC1CC(=O)NCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione?
The InChIKey is HYLBEXZMBHVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-6-12(17)15-7-13(18)16(9)8-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,17).
What are the key properties of 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione?
1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione has a molecular weight of 266.73 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64882792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).