9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C15H11FN2O — CID 138736880

IUPAC9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cccc(F)c2N1
InChIInChI=1S/C15H11FN2O/c16-12-8-4-7-11-14(10-5-2-1-3-6-10)17-9-13(19)18-15(11)12/h1-8H,9H2,(H,18,19)
InChIKeyUUQCAOAKOGVMJB-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.62
Rot. Bonds1

About 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 138736880) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID138736880
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2)c2cccc(F)c2N1
InChIInChI=1S/C15H11FN2O/c16-12-8-4-7-11-14(10-5-2-1-3-6-10)17-9-13(19)18-15(11)12/h1-8H,9H2,(H,18,19)
InChIKeyUUQCAOAKOGVMJB-UHFFFAOYSA-N
XLogP2.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275338
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
7,9-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788421
(3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118704781
7-fluoro-5-(4-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;5-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one;7-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 161006111
carbamimidoyl 2-morpholin-4-ylpyridine-3-carboximidate;9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 142553115
5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155746
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
(9-fluoro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamic acid
CID 122636408
5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 4506
Nitrazepam sodium
CID 176507617

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 138736880) is 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2)c2cccc(F)c2N1.
What is the InChIKey of 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is UUQCAOAKOGVMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-8-4-7-11-14(10-5-2-1-3-6-10)17-9-13(19)18-15(11)12/h1-8H,9H2,(H,18,19).
What are the key properties of 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 254.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 138736880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).