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

C22H15F3N2O2 — CID 4580500

IUPAC7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2F)C(c2ccc(F)cc2)c2cc(F)ccc2N1
InChIInChI=1S/C22H15F3N2O2/c23-14-7-5-13(6-8-14)21-17-11-15(24)9-10-19(17)26-20(28)12-27(21)22(29)16-3-1-2-4-18(16)25/h1-11,21H,12H2,(H,26,28)
InChIKeyGOGQDCIJVVABFA-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.29
Rot. Bonds2

About 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 4580500) has the molecular formula C22H15F3N2O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID4580500
Molecular FormulaC22H15F3N2O2
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2F)C(c2ccc(F)cc2)c2cc(F)ccc2N1
InChIInChI=1S/C22H15F3N2O2/c23-14-7-5-13(6-8-14)21-17-11-15(24)9-10-19(17)26-20(28)12-27(21)22(29)16-3-1-2-4-18(16)25/h1-11,21H,12H2,(H,26,28)
InChIKeyGOGQDCIJVVABFA-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 4580500) is 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(C(=O)c2ccccc2F)C(c2ccc(F)cc2)c2cc(F)ccc2N1.
What is the InChIKey of 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is GOGQDCIJVVABFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2/c23-14-7-5-13(6-8-14)21-17-11-15(24)9-10-19(17)26-20(28)12-27(21)22(29)16-3-1-2-4-18(16)25/h1-11,21H,12H2,(H,26,28).
What are the key properties of 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 396.37 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-fluorobenzoyl)-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 4580500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).