2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide

C17H15ClN2O2 — CID 4923025

IUPAC2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
SMILESO=C(COc1ccccc1Cl)NN=C1Cc2ccccc2C1
InChIInChI=1S/C17H15ClN2O2/c18-15-7-3-4-8-16(15)22-11-17(21)20-19-14-9-12-5-1-2-6-13(12)10-14/h1-8H,9-11H2,(H,20,21)
InChIKeyGDDZHAGBSPQYQB-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.99
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide

2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide (PubChem CID 4923025) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
PubChem CID4923025
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
SMILESO=C(COc1ccccc1Cl)NN=C1Cc2ccccc2C1
InChIInChI=1S/C17H15ClN2O2/c18-15-7-3-4-8-16(15)22-11-17(21)20-19-14-9-12-5-1-2-6-13(12)10-14/h1-8H,9-11H2,(H,20,21)
InChIKeyGDDZHAGBSPQYQB-UHFFFAOYSA-N
XLogP2.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
CID 4923053
N-(1,3-dihydroinden-2-ylideneamino)-2-(2-fluorophenoxy)acetamide
CID 9317079
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(2-chlorophenoxy)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9315307
(4Z)-4-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 19171619
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
CID 9315386
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide (CID 4923025) is 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide is O=C(COc1ccccc1Cl)NN=C1Cc2ccccc2C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
The InChIKey is GDDZHAGBSPQYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-15-7-3-4-8-16(15)22-11-17(21)20-19-14-9-12-5-1-2-6-13(12)10-14/h1-8H,9-11H2,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide has a molecular weight of 314.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide is sourced from PubChem (CID 4923025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).