1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one

C15H11FN2O — CID 152766766

IUPAC1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=Cc2ccccc2N1c1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c16-12-5-3-6-13(8-12)18-14-7-2-1-4-11(14)9-17-10-15(18)19/h1-9H,10H2
InChIKeyMWXADFHYUDJWIV-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.92
Rot. Bonds1

About 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one

1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one (PubChem CID 152766766) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one
PubChem CID152766766
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=Cc2ccccc2N1c1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c16-12-5-3-6-13(8-12)18-14-7-2-1-4-11(14)9-17-10-15(18)19/h1-9H,10H2
InChIKeyMWXADFHYUDJWIV-UHFFFAOYSA-N
XLogP2.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one (CID 152766766) is 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one is O=C1CN=Cc2ccccc2N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
The InChIKey is MWXADFHYUDJWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-5-3-6-13(8-12)18-14-7-2-1-4-11(14)9-17-10-15(18)19/h1-9H,10H2.
What are the key properties of 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one?
1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one has a molecular weight of 254.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 152766766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).