7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C15H17ClN2O2 — CID 61085972

IUPAC7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(C(Cl)C3CCCC3)ccc2N1
InChIInChI=1S/C15H17ClN2O2/c16-15(9-3-1-2-4-9)10-5-6-11-12(7-10)18-14(20)8-13(19)17-11/h5-7,9,15H,1-4,8H2,(H,17,19)(H,18,20)
InChIKeyQYKXQOICPMMYKT-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.44
Rot. Bonds2

About 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione

7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 61085972) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID61085972
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESO=C1CC(=O)Nc2cc(C(Cl)C3CCCC3)ccc2N1
InChIInChI=1S/C15H17ClN2O2/c16-15(9-3-1-2-4-9)10-5-6-11-12(7-10)18-14(20)8-13(19)17-11/h5-7,9,15H,1-4,8H2,(H,17,19)(H,18,20)
InChIKeyQYKXQOICPMMYKT-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 83147844
7-[chloro-(5-methyloxolan-3-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114826823
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
7-[amino(oxolan-3-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 61273189
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009732
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
5-(1-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
CID 61084776
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627
7-(cyclopentanecarbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43338771
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
7-[furan-2-yl(methylamino)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 43483117

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 61085972) is 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione is O=C1CC(=O)Nc2cc(C(Cl)C3CCCC3)ccc2N1.
What is the InChIKey of 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is QYKXQOICPMMYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-15(9-3-1-2-4-9)10-5-6-11-12(7-10)18-14(20)8-13(19)17-11/h5-7,9,15H,1-4,8H2,(H,17,19)(H,18,20).
What are the key properties of 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 292.77 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(cyclopentyl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 61085972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).