2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

C22H18BrN3O2 — CID 135419996

IUPAC2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)COc1ccc(Br)c2ccccc12
InChIInChI=1S/C22H18BrN3O2/c1-14-18(16-7-4-5-9-20(16)25-14)12-24-26-22(27)13-28-21-11-10-19(23)15-6-2-3-8-17(15)21/h2-12,25H,13H2,1H3,(H,26,27)/b24-12+
InChIKeyHGQPSNYMSHLLAT-WYMPLXKRSA-N
MW436.31 g/mol
LogP4.92
Rot. Bonds5

About 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 135419996) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID135419996
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1[nH]c2ccccc2c1/C=N/NC(=O)COc1ccc(Br)c2ccccc12
InChIInChI=1S/C22H18BrN3O2/c1-14-18(16-7-4-5-9-20(16)25-14)12-24-26-22(27)13-28-21-11-10-19(23)15-6-2-3-8-17(15)21/h2-12,25H,13H2,1H3,(H,26,27)/b24-12+
InChIKeyHGQPSNYMSHLLAT-WYMPLXKRSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.92
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-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 594133
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136900787
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(4-bromonaphthalen-1-yl)oxy-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 41271374
3,4,5-trimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648148
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
3,4-dimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135650440
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
2-(2-bromo-4-methoxyphenoxy)-N-[(2-methyl-6-nitro-1H-indol-3-yl)methylideneamino]acetamide
CID 3099781
ethyl (4R)-6-methyl-4-[2-[2-[2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 137139397

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (CID 135419996) is 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is Cc1[nH]c2ccccc2c1/C=N/NC(=O)COc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is HGQPSNYMSHLLAT-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-14-18(16-7-4-5-9-20(16)25-14)12-24-26-22(27)13-28-21-11-10-19(23)15-6-2-3-8-17(15)21/h2-12,25H,13H2,1H3,(H,26,27)/b24-12+.
What are the key properties of 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 436.31 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 135419996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).