7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C17H15BrN2O3 — CID 46193492

IUPAC7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccccc2)=NC1OCCO
InChIInChI=1S/C17H15BrN2O3/c18-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)20-17(16(22)19-14)23-9-8-21/h1-7,10,17,21H,8-9H2,(H,19,22)
InChIKeyXGTTZGULRZEUCT-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.57
Rot. Bonds4

About 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 46193492) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID46193492
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Br)cc2C(c2ccccc2)=NC1OCCO
InChIInChI=1S/C17H15BrN2O3/c18-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)20-17(16(22)19-14)23-9-8-21/h1-7,10,17,21H,8-9H2,(H,19,22)
InChIKeyXGTTZGULRZEUCT-UHFFFAOYSA-N
XLogP2.57
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 46193492) is 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Br)cc2C(c2ccccc2)=NC1OCCO.
What is the InChIKey of 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is XGTTZGULRZEUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c18-12-6-7-14-13(10-12)15(11-4-2-1-3-5-11)20-17(16(22)19-14)23-9-8-21/h1-7,10,17,21H,8-9H2,(H,19,22).
What are the key properties of 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 375.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-hydroxyethoxy)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 46193492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).