2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide

C19H18ClN3O2 — CID 154063383

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-12-7-15(20)8-13(2)19(12)25-11-18(24)23-22-10-14-9-21-17-6-4-3-5-16(14)17/h3-10,21H,11H2,1-2H3,(H,23,24)
InChIKeyMGCPVDVXCCGLNH-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide

2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide (PubChem CID 154063383) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
PubChem CID154063383
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESCc1cc(Cl)cc(C)c1OCC(=O)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-12-7-15(20)8-13(2)19(12)25-11-18(24)23-22-10-14-9-21-17-6-4-3-5-16(14)17/h3-10,21H,11H2,1-2H3,(H,23,24)
InChIKeyMGCPVDVXCCGLNH-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.97
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

2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 136501552
N-(4-chloro-2-methylphenyl)-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3915697
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-[(E)-1H-indol-3-ylmethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 135642435
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
CID 136700927
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135606908
N-(3,4-dimethylphenyl)-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136720944
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide (CID 154063383) is 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide is Cc1cc(Cl)cc(C)c1OCC(=O)NN=Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide?
The InChIKey is MGCPVDVXCCGLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-7-15(20)8-13(2)19(12)25-11-18(24)23-22-10-14-9-21-17-6-4-3-5-16(14)17/h3-10,21H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide?
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 154063383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).