5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

C16H13FN2O2 — CID 3757029

IUPAC5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESO=C1CCN(C(=O)c2ccccc2F)c2ccccc2N1
InChIInChI=1S/C16H13FN2O2/c17-12-6-2-1-5-11(12)16(21)19-10-9-15(20)18-13-7-3-4-8-14(13)19/h1-8H,9-10H2,(H,18,20)
InChIKeyKHHPBSXNIDLOLP-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.81
Rot. Bonds1

About 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one

5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one (PubChem CID 3757029) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
PubChem CID3757029
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
SMILESO=C1CCN(C(=O)c2ccccc2F)c2ccccc2N1
InChIInChI=1S/C16H13FN2O2/c17-12-6-2-1-5-11(12)16(21)19-10-9-15(20)18-13-7-3-4-8-14(13)19/h1-8H,9-10H2,(H,18,20)
InChIKeyKHHPBSXNIDLOLP-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The IUPAC name of 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one (CID 3757029) is 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The canonical SMILES for 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one is O=C1CCN(C(=O)c2ccccc2F)c2ccccc2N1.
What is the InChIKey of 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
The InChIKey is KHHPBSXNIDLOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-6-2-1-5-11(12)16(21)19-10-9-15(20)18-13-7-3-4-8-14(13)19/h1-8H,9-10H2,(H,18,20).
What are the key properties of 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one?
5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one has a molecular weight of 284.29 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one is sourced from PubChem (CID 3757029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).