6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

C11H13FN2O — CID 84621079

IUPAC6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCC1CC(=O)N(C)c2c(F)cccc2N1
InChIInChI=1S/C11H13FN2O/c1-7-6-10(15)14(2)11-8(12)4-3-5-9(11)13-7/h3-5,7,13H,6H2,1-2H3
InChIKeyPXDJIRFNIYQCRK-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.99
Rot. Bonds

About 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 84621079) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID84621079
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCC1CC(=O)N(C)c2c(F)cccc2N1
InChIInChI=1S/C11H13FN2O/c1-7-6-10(15)14(2)11-8(12)4-3-5-9(11)13-7/h3-5,7,13H,6H2,1-2H3
InChIKeyPXDJIRFNIYQCRK-UHFFFAOYSA-N
XLogP1.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225
7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84621066
(4S)-7-chloro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 15266163
6-fluoro-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 83818424
5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896316
(2S)-5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 26741923
1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one
CID 115095003
3-cyclopropyl-1-(2,6-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64959966
1-(2,6-difluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959859
2-methyl-5-(3-methylbutyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896301
(4S)-1,4-dimethyl-7-nitro-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 7070787
5-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
CID 154161447

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 84621079) is 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is CC1CC(=O)N(C)c2c(F)cccc2N1.
What is the InChIKey of 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is PXDJIRFNIYQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-6-10(15)14(2)11-8(12)4-3-5-9(11)13-7/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 208.24 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,5-dimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 84621079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).