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

C11H13FN2O — CID 84621066

IUPAC7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)N(C)c2ccc(F)cc2N1
InChIInChI=1S/C11H13FN2O/c1-7-5-11(15)14(2)10-4-3-8(12)6-9(10)13-7/h3-4,6-7,13H,5H2,1-2H3
InChIKeyFPHNXZIPVBMHGQ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.99
Rot. Bonds

About 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one

7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (PubChem CID 84621066) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
PubChem CID84621066
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
SMILESCC1CC(=O)N(C)c2ccc(F)cc2N1
InChIInChI=1S/C11H13FN2O/c1-7-5-11(15)14(2)10-4-3-8(12)6-9(10)13-7/h3-4,6-7,13H,5H2,1-2H3
InChIKeyFPHNXZIPVBMHGQ-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The IUPAC name of 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one (CID 84621066) is 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The canonical SMILES for 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is CC1CC(=O)N(C)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
The InChIKey is FPHNXZIPVBMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-5-11(15)14(2)10-4-3-8(12)6-9(10)13-7/h3-4,6-7,13H,5H2,1-2H3.
What are the key properties of 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one?
7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-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 7-fluoro-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 84621066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).