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

C18H16F2N2O2 — CID 5171354

IUPAC7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2/c1-2-17(24)22-10-16(23)21-15-8-7-13(20)9-14(15)18(22)11-3-5-12(19)6-4-11/h3-9,18H,2,10H2,1H3,(H,21,23)
InChIKeyDDOGYNFXBWVGFA-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.24
Rot. Bonds2

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

7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 5171354) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID5171354
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESCCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2/c1-2-17(24)22-10-16(23)21-15-8-7-13(20)9-14(15)18(22)11-3-5-12(19)6-4-11/h3-9,18H,2,10H2,1H3,(H,21,23)
InChIKeyDDOGYNFXBWVGFA-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 5171354) is 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is CCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccc(F)cc1.
What is the InChIKey of 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is DDOGYNFXBWVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-2-17(24)22-10-16(23)21-15-8-7-13(20)9-14(15)18(22)11-3-5-12(19)6-4-11/h3-9,18H,2,10H2,1H3,(H,21,23).
What are the key properties of 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 330.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(4-fluorophenyl)-4-propanoyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 5171354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).