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Clobenzepam

C17H18ClN3O — CID 14396

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
SMILESCN(C)CCN1C(=O)c2ccccc2Nc2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3O/c1-20(2)9-10-21-16-8-7-12(18)11-15(16)19-14-6-4-3-5-13(14)17(21)22/h3-8,11,19H,9-10H2,1-2H3
InChIKeyIDWVKNARDDZONS-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.61
Rot. Bonds3

About Clobenzepam

Clobenzepam (PubChem CID 14396) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound NameClobenzepam
PubChem CID14396
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
SMILESCN(C)CCN1C(=O)c2ccccc2Nc2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3O/c1-20(2)9-10-21-16-8-7-12(18)11-15(16)19-14-6-4-3-5-13(14)17(21)22/h3-8,11,19H,9-10H2,1-2H3
InChIKeyIDWVKNARDDZONS-UHFFFAOYSA-N
XLogP3.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dibenzepin
CID 9419
U 17660
CID 26008
8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
CID 3653116
2-amino-N-(3-chlorophenyl)benzamide
CID 720859
2-amino-N-(4-chlorophenyl)benzamide
CID 670472
N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide
CID 12746775

Frequently Asked Questions

What is the IUPAC name of Clobenzepam?
The IUPAC name of Clobenzepam (CID 14396) is 2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for Clobenzepam?
The canonical SMILES for Clobenzepam is CN(C)CCN1C(=O)c2ccccc2Nc2cc(Cl)ccc21.
What is the InChIKey of Clobenzepam?
The InChIKey is IDWVKNARDDZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-20(2)9-10-21-16-8-7-12(18)11-15(16)19-14-6-4-3-5-13(14)17(21)22/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of Clobenzepam?
Clobenzepam has a molecular weight of 315.80 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Clobenzepam is sourced from PubChem (CID 14396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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