N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide

C16H11FINO2 — CID 134106187

IUPACN-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide
SMILESO=C(NC1Cc2cc(F)ccc2C1=O)c1ccccc1I
InChIInChI=1S/C16H11FINO2/c17-10-5-6-11-9(7-10)8-14(15(11)20)19-16(21)12-3-1-2-4-13(12)18/h1-7,14H,8H2,(H,19,21)
InChIKeyMFQSZQIVYXNLFI-UHFFFAOYSA-N
MW395.17 g/mol
LogP2.97
Rot. Bonds2

About N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide

N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide (PubChem CID 134106187) has the molecular formula C16H11FINO2 and a molecular weight of 395.17 g/mol. Its IUPAC name is N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide
PubChem CID134106187
Molecular FormulaC16H11FINO2
Molecular Weight395.17 g/mol
Exact Mass394.98
IUPAC NameN-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide
SMILESO=C(NC1Cc2cc(F)ccc2C1=O)c1ccccc1I
InChIInChI=1S/C16H11FINO2/c17-10-5-6-11-9(7-10)8-14(15(11)20)19-16(21)12-3-1-2-4-13(12)18/h1-7,14H,8H2,(H,19,21)
InChIKeyMFQSZQIVYXNLFI-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-oxo-1,2-dihydroinden-2-yl)benzamide
CID 134115762
2-benzoyl-5-fluoro-2,3-dihydroinden-1-one
CID 116531409
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698
2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
2-chloro-5-fluoro-2,3-dihydroinden-1-one
CID 116531382
2,2,2-trifluoro-N-[(2S)-3-oxo-1,2-dihydroinden-2-yl]acetamide
CID 11425044
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-N-methylbenzamide
CID 134118733
N-(3-oxo-1,2-dihydroinden-2-yl)pyridine-4-carboxamide
CID 10083556
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
CID 116649772
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide?
The IUPAC name of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide (CID 134106187) is N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide?
The canonical SMILES for N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide is O=C(NC1Cc2cc(F)ccc2C1=O)c1ccccc1I.
What is the InChIKey of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide?
The InChIKey is MFQSZQIVYXNLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FINO2/c17-10-5-6-11-9(7-10)8-14(15(11)20)19-16(21)12-3-1-2-4-13(12)18/h1-7,14H,8H2,(H,19,21).
What are the key properties of N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide?
N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide has a molecular weight of 395.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-oxo-1,2-dihydroinden-2-yl)-2-iodobenzamide is sourced from PubChem (CID 134106187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).