2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

C17H14ClN3O2 — CID 135578464

IUPAC2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H14ClN3O2/c18-13-5-7-14(8-6-13)23-11-17(22)21-20-10-12-9-19-16-4-2-1-3-15(12)16/h1-10,19H,11H2,(H,21,22)/b20-10+
InChIKeyLYZSMACMAIGKOD-KEBDBYFISA-N
MW327.77 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (PubChem CID 135578464) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
PubChem CID135578464
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C17H14ClN3O2/c18-13-5-7-14(8-6-13)23-11-17(22)21-20-10-12-9-19-16-4-2-1-3-15(12)16/h1-10,19H,11H2,(H,21,22)/b20-10+
InChIKeyLYZSMACMAIGKOD-KEBDBYFISA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.35
H-Bond Donors ≤ 52
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

N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
2-(4-chlorophenoxy)-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6899394
2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 1493686

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (CID 135578464) is 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is O=C(COc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The InChIKey is LYZSMACMAIGKOD-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-5-7-14(8-6-13)23-11-17(22)21-20-10-12-9-19-16-4-2-1-3-15(12)16/h1-10,19H,11H2,(H,21,22)/b20-10+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide has a molecular weight of 327.77 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 135578464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).