7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine

C15H11F2N3 — CID 15079732

IUPAC7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(F)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C15H11F2N3/c16-9-5-6-13-11(7-9)15(19-8-14(18)20-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H2,18,20)
InChIKeyOQCKQXATUQZTAE-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.80
Rot. Bonds1

About 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine

7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine (PubChem CID 15079732) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
PubChem CID15079732
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(F)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C15H11F2N3/c16-9-5-6-13-11(7-9)15(19-8-14(18)20-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H2,18,20)
InChIKeyOQCKQXATUQZTAE-UHFFFAOYSA-N
XLogP2.80
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 200127
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Benzamidine, N-(m-fluorophenyl)-
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CID 211746
4-Phenyl-3,4-dihydroquinolin-2-amine
CID 71682373
N-Desmethyl-N(4)-desoxychlordiazepoxide
CID 165626
N-(4-Fluorophenyl)benzenecarboximidamide
CID 12390293
N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 15738789
N'-(2-methylphenyl)benzenecarboximidamide
CID 6340801
N-Phenyl-4-(trifluoromethyl)benzamidine
CID 72712936

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine (CID 15079732) is 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine is NC1=Nc2ccc(F)cc2C(c2ccccc2F)=NC1.
What is the InChIKey of 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
The InChIKey is OQCKQXATUQZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-9-5-6-13-11(7-9)15(19-8-14(18)20-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H2,18,20).
What are the key properties of 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine?
7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine has a molecular weight of 271.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 15079732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).