7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C15H11ClN2O — CID 2997

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IUPAC7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyAKPLHCDWDRPJGD-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.13
Rot. Bonds1

About 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 2997) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID2997
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyAKPLHCDWDRPJGD-UHFFFAOYSA-N
XLogP3.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Lorazepam
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Delorazepam
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Ro 5-4864
CID 1688
Prazepam
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Temazepam
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Clorazepate
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Desalkylflurazepam
CID 4540
Halazepam
CID 31640

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 2997) is 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is AKPLHCDWDRPJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 2997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).