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

C16H14ClFN2O — CID 81266310

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H14ClFN2O/c17-13-3-1-2-12(15(13)18)16(21)20-14-7-4-9-8-10(19)5-6-11(9)14/h1-3,5-6,8,14H,4,7,19H2,(H,20,21)
InChIKeyGKZTYQMLQGAEGQ-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.48
Rot. Bonds2

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

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide (PubChem CID 81266310) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
PubChem CID81266310
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C16H14ClFN2O/c17-13-3-1-2-12(15(13)18)16(21)20-14-7-4-9-8-10(19)5-6-11(9)14/h1-3,5-6,8,14H,4,7,19H2,(H,20,21)
InChIKeyGKZTYQMLQGAEGQ-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
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2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
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2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
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3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
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2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide (CID 81266310) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide is Nc1ccc2c(c1)CCC2NC(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide?
The InChIKey is GKZTYQMLQGAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-13-3-1-2-12(15(13)18)16(21)20-14-7-4-9-8-10(19)5-6-11(9)14/h1-3,5-6,8,14H,4,7,19H2,(H,20,21).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide has a molecular weight of 304.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide is sourced from PubChem (CID 81266310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).