2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide

C16H13ClFNO — CID 42889076

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
SMILESO=C(NC1CCc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO/c17-12-6-3-7-13(18)15(12)16(20)19-14-9-8-10-4-1-2-5-11(10)14/h1-7,14H,8-9H2,(H,19,20)
InChIKeyAXKGMGVFNDIWDB-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.90
Rot. Bonds2

About 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide

2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide (PubChem CID 42889076) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
PubChem CID42889076
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
SMILESO=C(NC1CCc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO/c17-12-6-3-7-13(18)15(12)16(20)19-14-9-8-10-4-1-2-5-11(10)14/h1-7,14H,8-9H2,(H,19,20)
InChIKeyAXKGMGVFNDIWDB-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
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-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-chloro-6-fluorobenzoate
CID 7504143
2-chloro-6-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110603939
2,6-difluoro-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 95934372
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 24535401
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide (CID 42889076) is 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide is O=C(NC1CCc2ccccc21)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide?
The InChIKey is AXKGMGVFNDIWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-12-6-3-7-13(18)15(12)16(20)19-14-9-8-10-4-1-2-5-11(10)14/h1-7,14H,8-9H2,(H,19,20).
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide?
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide has a molecular weight of 289.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide is sourced from PubChem (CID 42889076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).