7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine

C15H12FN3 — CID 22153689

IUPAC7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(F)cc2C(c2ccccc2)=NC1
InChIInChI=1S/C15H12FN3/c16-11-6-7-13-12(8-11)15(18-9-14(17)19-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,19)
InChIKeyKAOAJLDGFTYXTP-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.67
Rot. Bonds1

About 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine

7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine (PubChem CID 22153689) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine
PubChem CID22153689
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(F)cc2C(c2ccccc2)=NC1
InChIInChI=1S/C15H12FN3/c16-11-6-7-13-12(8-11)15(18-9-14(17)19-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,19)
InChIKeyKAOAJLDGFTYXTP-UHFFFAOYSA-N
XLogP2.67
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine (CID 22153689) is 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine is NC1=Nc2ccc(F)cc2C(c2ccccc2)=NC1.
What is the InChIKey of 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine?
The InChIKey is KAOAJLDGFTYXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-11-6-7-13-12(8-11)15(18-9-14(17)19-13)10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,19).
What are the key properties of 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine?
7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine has a molecular weight of 253.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-phenyl-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 22153689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).