(3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C15H12FN3O — CID 118704781

IUPAC(3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESN[C@@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O
InChIInChI=1S/C15H12FN3O/c16-11-8-4-7-10-12(9-5-2-1-3-6-9)18-14(17)15(20)19-13(10)11/h1-8,14H,17H2,(H,19,20)/t14-/m1/s1
InChIKeyWIORTIPKQQCZHO-CQSZACIVSA-N
MW269.28 g/mol
LogP1.90
Rot. Bonds1

About (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

(3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 118704781) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID118704781
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name(3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESN[C@@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O
InChIInChI=1S/C15H12FN3O/c16-11-8-4-7-10-12(9-5-2-1-3-6-9)18-14(17)15(20)19-13(10)11/h1-8,14H,17H2,(H,19,20)/t14-/m1/s1
InChIKeyWIORTIPKQQCZHO-CQSZACIVSA-N
XLogP1.90
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 118704781) is (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is N[C@@H]1N=C(c2ccccc2)c2cccc(F)c2NC1=O.
What is the InChIKey of (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is WIORTIPKQQCZHO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-11-8-4-7-10-12(9-5-2-1-3-6-9)18-14(17)15(20)19-13(10)11/h1-8,14H,17H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
(3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 269.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 118704781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).