7-chloro-5-phenyl-1,4-benzodiazepin-2-one

C15H9ClN2O — CID 23615668

IUPAC7-chloro-5-phenyl-1,4-benzodiazepin-2-one
SMILESO=c1cnc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H9ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-9H
InChIKeySRJBKJYPBGPEHL-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.31
Rot. Bonds1

About 7-chloro-5-phenyl-1,4-benzodiazepin-2-one

7-chloro-5-phenyl-1,4-benzodiazepin-2-one (PubChem CID 23615668) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 7-chloro-5-phenyl-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-phenyl-1,4-benzodiazepin-2-one
PubChem CID23615668
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name7-chloro-5-phenyl-1,4-benzodiazepin-2-one
SMILESO=c1cnc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H9ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-9H
InChIKeySRJBKJYPBGPEHL-UHFFFAOYSA-N
XLogP3.31
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-phenyl-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-phenyl-1,4-benzodiazepin-2-one (CID 23615668) is 7-chloro-5-phenyl-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-phenyl-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-phenyl-1,4-benzodiazepin-2-one is O=c1cnc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 7-chloro-5-phenyl-1,4-benzodiazepin-2-one?
The InChIKey is SRJBKJYPBGPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 7-chloro-5-phenyl-1,4-benzodiazepin-2-one?
7-chloro-5-phenyl-1,4-benzodiazepin-2-one has a molecular weight of 268.70 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23615668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).