2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide

C17H14BrClN2O2 — CID 4923053

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NN=C1Cc2ccccc2C1
InChIInChI=1S/C17H14BrClN2O2/c18-13-5-6-16(15(19)9-13)23-10-17(22)21-20-14-7-11-3-1-2-4-12(11)8-14/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyWEZWYWHEKBGPDK-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.75
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide (PubChem CID 4923053) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
PubChem CID4923053
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NN=C1Cc2ccccc2C1
InChIInChI=1S/C17H14BrClN2O2/c18-13-5-6-16(15(19)9-13)23-10-17(22)21-20-14-7-11-3-1-2-4-12(11)8-14/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyWEZWYWHEKBGPDK-UHFFFAOYSA-N
XLogP3.75
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.75
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-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
CID 4923025
2-(4-bromo-2-chlorophenoxy)-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)acetamide
CID 4632205
N-(1,3-dihydroinden-2-ylideneamino)-2-(2-fluorophenoxy)acetamide
CID 9317079
2-(4-bromo-2-chlorophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 4632189
2-(4-bromo-2-chlorophenoxy)-N-[(E)-pentan-2-ylideneamino]acetamide
CID 54785679
2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982201
2-(4-bromo-2-chlorophenoxy)-N-cyanoacetamide
CID 79194704
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
4-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoic acid
CID 4632414
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-naphthalen-2-yloxyacetohydrazide
CID 4632609

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide (CID 4923053) is 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide is O=C(COc1ccc(Br)cc1Cl)NN=C1Cc2ccccc2C1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
The InChIKey is WEZWYWHEKBGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c18-13-5-6-16(15(19)9-13)23-10-17(22)21-20-14-7-11-3-1-2-4-12(11)8-14/h1-6,9H,7-8,10H2,(H,21,22).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide has a molecular weight of 393.67 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide is sourced from PubChem (CID 4923053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).