7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C15H9ClF2N2O — CID 23275763

IUPAC7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2c(F)cccc2F)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H9ClF2N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
InChIKeyWENMWXYJTWETRE-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.41
Rot. Bonds1

About 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 23275763) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID23275763
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2c(F)cccc2F)c2cc(Cl)ccc2N1
InChIInChI=1S/C15H9ClF2N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
InChIKeyWENMWXYJTWETRE-UHFFFAOYSA-N
XLogP3.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Diazepam
CID 3016
Nordiazepam
CID 2997
Flurazepam
CID 3393
Oxazepam
CID 4616
Lorazepam
CID 3958
Ro 5-4864
CID 1688
Desalkylflurazepam
CID 4540
Prazepam
CID 4890
Delorazepam
CID 17925
Clorazepate
CID 2809
Ethyl Loflazepate
CID 3299
Halazepam
CID 31640

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 23275763) is 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2c(F)cccc2F)c2cc(Cl)ccc2N1.
What is the InChIKey of 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is WENMWXYJTWETRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21).
What are the key properties of 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 306.70 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23275763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).