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

C15H11FIN3 — CID 21265962

IUPAC5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(I)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C15H11FIN3/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)20-14(18)8-19-15/h1-7H,8H2,(H2,18,20)
InChIKeyLFUZDRQQAFRINX-UHFFFAOYSA-N
MW379.18 g/mol
LogP3.27
Rot. Bonds1

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

5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine (PubChem CID 21265962) has the molecular formula C15H11FIN3 and a molecular weight of 379.18 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine
PubChem CID21265962
Molecular FormulaC15H11FIN3
Molecular Weight379.18 g/mol
Exact Mass379.00
IUPAC Name5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine
SMILESNC1=Nc2ccc(I)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C15H11FIN3/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)20-14(18)8-19-15/h1-7H,8H2,(H2,18,20)
InChIKeyLFUZDRQQAFRINX-UHFFFAOYSA-N
XLogP3.27
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N'-phenylbenzenecarboximidamide
CID 397632
Benzamidine, N-(m-fluorophenyl)-
CID 210828
N-(4-Fluorophenyl)benzenecarboximidamide
CID 12390293
N'-[2-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 15738789
(z)-4-fluoro-N'-(3-fluorophenyl)benzimidamide
CID 139202751
2-fluoro-N-phenylbenzimidamide
CID 141516284
N'-(2-fluorophenyl)benzenecarboximidamide
CID 13280737
4-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
CID 11075269
N'-(4-iodophenyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 135071790
2-fluoro-N'-(3-fluorophenyl)benzenecarboximidamide
CID 139200087
2-fluoro-N'-(2-fluorophenyl)benzenecarboximidamide
CID 139203016
3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
CID 139203017

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine?
The IUPAC name of 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine (CID 21265962) is 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine?
The canonical SMILES for 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine is NC1=Nc2ccc(I)cc2C(c2ccccc2F)=NC1.
What is the InChIKey of 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine?
The InChIKey is LFUZDRQQAFRINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FIN3/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)20-14(18)8-19-15/h1-7H,8H2,(H2,18,20).
What are the key properties of 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine?
5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine has a molecular weight of 379.18 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-7-iodo-3H-1,4-benzodiazepin-2-amine is sourced from PubChem (CID 21265962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).