7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C15H17ClN2O2 — CID 83147844

IUPAC7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCC(C1CC1)C(Cl)c1ccc2c(c1)NC(=O)CC(=O)N2
InChIInChI=1S/C15H17ClN2O2/c1-8(9-2-3-9)15(16)10-4-5-11-12(6-10)18-14(20)7-13(19)17-11/h4-6,8-9,15H,2-3,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJQNCGUUDIAYNH-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.29
Rot. Bonds3

About 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 83147844) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID83147844
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCC(C1CC1)C(Cl)c1ccc2c(c1)NC(=O)CC(=O)N2
InChIInChI=1S/C15H17ClN2O2/c1-8(9-2-3-9)15(16)10-4-5-11-12(6-10)18-14(20)7-13(19)17-11/h4-6,8-9,15H,2-3,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJQNCGUUDIAYNH-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 83147844) is 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is CC(C1CC1)C(Cl)c1ccc2c(c1)NC(=O)CC(=O)N2.
What is the InChIKey of 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is MJQNCGUUDIAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-8(9-2-3-9)15(16)10-4-5-11-12(6-10)18-14(20)7-13(19)17-11/h4-6,8-9,15H,2-3,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 292.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-chloro-2-cyclopropylpropyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 83147844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).