2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate

C16H12ClFNO2- — CID 155718328

IUPAC2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
SMILESO=C(NC1CCc2cc(Cl)ccc21)c1cccc(F)c1[O-]
InChIInChI=1S/C16H13ClFNO2/c17-10-5-6-11-9(8-10)4-7-14(11)19-16(21)12-2-1-3-13(18)15(12)20/h1-3,5-6,8,14,20H,4,7H2,(H,19,21)/p-1
InChIKeyUEIUUQMDZZYGCF-UHFFFAOYSA-M
MW304.73 g/mol
LogP2.97
Rot. Bonds2

About 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate

2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate (PubChem CID 155718328) has the molecular formula C16H12ClFNO2- and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
PubChem CID155718328
Molecular FormulaC16H12ClFNO2-
Molecular Weight304.73 g/mol
Exact Mass304.05
IUPAC Name2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
SMILESO=C(NC1CCc2cc(Cl)ccc21)c1cccc(F)c1[O-]
InChIInChI=1S/C16H13ClFNO2/c17-10-5-6-11-9(8-10)4-7-14(11)19-16(21)12-2-1-3-13(18)15(12)20/h1-3,5-6,8,14,20H,4,7H2,(H,19,21)/p-1
InChIKeyUEIUUQMDZZYGCF-UHFFFAOYSA-M
XLogP2.97
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2,3-dihydro-1,2-benzothiazole-6-carboxamide
CID 171794326
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
CID 171794448
carbon dioxide;N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2,3-dihydro-1,2-benzothiazole-6-carboxamide
CID 171794325
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 51125193
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate (CID 155718328) is 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate is O=C(NC1CCc2cc(Cl)ccc21)c1cccc(F)c1[O-].
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate?
The InChIKey is UEIUUQMDZZYGCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13ClFNO2/c17-10-5-6-11-9(8-10)4-7-14(11)19-16(21)12-2-1-3-13(18)15(12)20/h1-3,5-6,8,14,20H,4,7H2,(H,19,21)/p-1.
What are the key properties of 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate?
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate has a molecular weight of 304.73 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 2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate is sourced from PubChem (CID 155718328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).