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

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

1-[(2,4-difluorophenyl)methyl]-7-methyl-1,4-diazepane-2,5-dione
CID 64884158
7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64881828
3-[(2-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 2726677
6-amino-1-[(2-chlorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 78236622
4-[(2-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318440
1-[(2,3-dichlorophenyl)methyl]-3-ethyl-7-methyl-1,4-diazepane-2,5-dione
CID 107310601
1-[(2-chlorophenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64874852
3-[2-(2-chlorophenyl)ethyl]-2-sulfanylideneimidazolidin-4-one
CID 2726696
5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 70273409
1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one
CID 22163961
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
(5S)-1-[(2-chlorophenyl)methyl]-5-ethenylpyrrolidin-2-one
CID 56976994

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).