3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide

C16H14ClFN2O2 — CID 123458477

IUPAC3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
SMILESNc1cc(C(=O)NC2c3cc(Cl)ccc3CC2O)ccc1F
InChIInChI=1S/C16H14ClFN2O2/c17-10-3-1-8-6-14(21)15(11(8)7-10)20-16(22)9-2-4-12(18)13(19)5-9/h1-5,7,14-15,21H,6,19H2,(H,20,22)
InChIKeyLAFAQWGPJCSRRQ-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.45
Rot. Bonds2

About 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide

3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide (PubChem CID 123458477) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
PubChem CID123458477
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
SMILESNc1cc(C(=O)NC2c3cc(Cl)ccc3CC2O)ccc1F
InChIInChI=1S/C16H14ClFN2O2/c17-10-3-1-8-6-14(21)15(11(8)7-10)20-16(22)9-2-4-12(18)13(19)5-9/h1-5,7,14-15,21H,6,19H2,(H,20,22)
InChIKeyLAFAQWGPJCSRRQ-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide (CID 123458477) is 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide is Nc1cc(C(=O)NC2c3cc(Cl)ccc3CC2O)ccc1F.
What is the InChIKey of 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
The InChIKey is LAFAQWGPJCSRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-10-3-1-8-6-14(21)15(11(8)7-10)20-16(22)9-2-4-12(18)13(19)5-9/h1-5,7,14-15,21H,6,19H2,(H,20,22).
What are the key properties of 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide?
3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide is sourced from PubChem (CID 123458477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).