2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide

C18H13BrN4O2 — CID 90003929

IUPAC2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
SMILESN#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C18H13BrN4O2/c19-14-4-5-17(13(8-14)9-20)25-11-18(24)23-22-10-12-2-1-3-16-15(12)6-7-21-16/h1-8,10,21H,11H2,(H,23,24)/b22-10+
InChIKeyQHZGNYUQJGAKSG-LSHDLFTRSA-N
MW397.23 g/mol
LogP3.33
Rot. Bonds5

About 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide

2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide (PubChem CID 90003929) has the molecular formula C18H13BrN4O2 and a molecular weight of 397.23 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
PubChem CID90003929
Molecular FormulaC18H13BrN4O2
Molecular Weight397.23 g/mol
Exact Mass396.02
IUPAC Name2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
SMILESN#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C18H13BrN4O2/c19-14-4-5-17(13(8-14)9-20)25-11-18(24)23-22-10-12-2-1-3-16-15(12)6-7-21-16/h1-8,10,21H,11H2,(H,23,24)/b22-10+
InChIKeyQHZGNYUQJGAKSG-LSHDLFTRSA-N
XLogP3.33
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyanophenoxy)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135615239
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 73426665
2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90003960
[4-bromo-2-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 4612284
2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90004082
[4-bromo-2-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate
CID 6322734
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 9467693
2-(2-bromo-4-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135582305
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-(4-bromo-2-cyanophenoxy)-N-(4-fluorophenyl)acetamide
CID 80611460
2-(2,4-dibromophenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135560401

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide (CID 90003929) is 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide is N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc2[nH]ccc12.
What is the InChIKey of 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The InChIKey is QHZGNYUQJGAKSG-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H13BrN4O2/c19-14-4-5-17(13(8-14)9-20)25-11-18(24)23-22-10-12-2-1-3-16-15(12)6-7-21-16/h1-8,10,21H,11H2,(H,23,24)/b22-10+.
What are the key properties of 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide has a molecular weight of 397.23 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 90003929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).