2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide

C16H13ClFNO — CID 6470489

IUPAC2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFNO/c17-15-9-12(18)5-7-14(15)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyAIHFUAOYKTYLAV-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.22
Rot. Bonds2

About 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide

2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide (PubChem CID 6470489) 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-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
PubChem CID6470489
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1ccc(F)cc1Cl
InChIInChI=1S/C16H13ClFNO/c17-15-9-12(18)5-7-14(15)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20)
InChIKeyAIHFUAOYKTYLAV-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2422766
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
CID 11530352
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2124982
2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride
CID 158571048
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17487375
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide (CID 6470489) is 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide is O=C(Nc1ccc2c(c1)CCC2)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide?
The InChIKey is AIHFUAOYKTYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-15-9-12(18)5-7-14(15)16(20)19-13-6-4-10-2-1-3-11(10)8-13/h4-9H,1-3H2,(H,19,20).
What are the key properties of 2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide?
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide has a molecular weight of 289.74 g/mol, XLogP of 4.22, 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-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 6470489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).