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

C16H13ClFNO — CID 114302198

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO/c17-14-9-11-3-1-2-4-13(11)15(14)19-16(20)10-5-7-12(18)8-6-10/h1-8,14-15H,9H2,(H,19,20)
InChIKeyKIFAHRYOTGZATB-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.46
Rot. Bonds2

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

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide (PubChem CID 114302198) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
PubChem CID114302198
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
SMILESO=C(NC1c2ccccc2CC1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H13ClFNO/c17-14-9-11-3-1-2-4-13(11)15(14)19-16(20)10-5-7-12(18)8-6-10/h1-8,14-15H,9H2,(H,19,20)
InChIKeyKIFAHRYOTGZATB-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 114982975
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
3-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 114302102
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
CID 114302053
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzenesulfonamide
CID 65032748
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
4,5-dibromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)thiophene-2-carboxamide
CID 114302056
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide (CID 114302198) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide is O=C(NC1c2ccccc2CC1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
The InChIKey is KIFAHRYOTGZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-14-9-11-3-1-2-4-13(11)15(14)19-16(20)10-5-7-12(18)8-6-10/h1-8,14-15H,9H2,(H,19,20).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide has a molecular weight of 289.74 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 114302198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).