2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide

C16H13ClN2O — CID 6106844

IUPAC2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O/c17-14-8-4-3-7-13(14)16(20)19-18-15-10-9-11-5-1-2-6-12(11)15/h1-8H,9-10H2,(H,19,20)/b18-15+
InChIKeyFXQNEUQLMCWHIT-OBGWFSINSA-N
MW284.75 g/mol
LogP3.42
Rot. Bonds2

About 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide

2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide (PubChem CID 6106844) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
PubChem CID6106844
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O/c17-14-8-4-3-7-13(14)16(20)19-18-15-10-9-11-5-1-2-6-12(11)15/h1-8H,9-10H2,(H,19,20)/b18-15+
InChIKeyFXQNEUQLMCWHIT-OBGWFSINSA-N
XLogP3.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide (CID 6106844) is 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide is O=C(N/N=C1\CCc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide?
The InChIKey is FXQNEUQLMCWHIT-OBGWFSINSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-14-8-4-3-7-13(14)16(20)19-18-15-10-9-11-5-1-2-6-12(11)15/h1-8H,9-10H2,(H,19,20)/b18-15+.
What are the key properties of 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide?
2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide has a molecular weight of 284.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide is sourced from PubChem (CID 6106844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).