5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one

C16H13FN2O — CID 67474800

IUPAC5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1[18F])=NCC(=O)N2
InChIInChI=1S/C16H13FN2O/c1-10-6-7-14-12(8-10)16(18-9-15(20)19-14)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H,19,20)/i17-1
InChIKeyMLPJLMRVONQUMV-SJPDSGJFSA-N
MW267.29 g/mol
LogP2.92
Rot. Bonds1

About 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one

5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 67474800) has the molecular formula C16H13FN2O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID67474800
Molecular FormulaC16H13FN2O
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1ccc2c(c1)C(c1ccccc1[18F])=NCC(=O)N2
InChIInChI=1S/C16H13FN2O/c1-10-6-7-14-12(8-10)16(18-9-15(20)19-14)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H,19,20)/i17-1
InChIKeyMLPJLMRVONQUMV-SJPDSGJFSA-N
XLogP2.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 67474800) is 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1ccc2c(c1)C(c1ccccc1[18F])=NCC(=O)N2.
What is the InChIKey of 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is MLPJLMRVONQUMV-SJPDSGJFSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-6-7-14-12(8-10)16(18-9-15(20)19-14)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3,(H,19,20)/i17-1.
What are the key properties of 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one?
5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 267.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 67474800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).