N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

C19H18BrN3O3 — CID 110526746

IUPACN-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCOc1cc(Br)cc(/C=N/NC(=O)c2cc3ccccc3n2C)c1OC
InChIInChI=1S/C19H18BrN3O3/c1-23-15-7-5-4-6-12(15)9-16(23)19(24)22-21-11-13-8-14(20)10-17(25-2)18(13)26-3/h4-11H,1-3H3,(H,22,24)/b21-11+
InChIKeyQPMGGBTXTGCXOY-SRZZPIQSSA-N
MW416.28 g/mol
LogP3.72
Rot. Bonds5

About N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (PubChem CID 110526746) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
PubChem CID110526746
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC NameN-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCOc1cc(Br)cc(/C=N/NC(=O)c2cc3ccccc3n2C)c1OC
InChIInChI=1S/C19H18BrN3O3/c1-23-15-7-5-4-6-12(15)9-16(23)19(24)22-21-11-13-8-14(20)10-17(25-2)18(13)26-3/h4-11H,1-3H3,(H,22,24)/b21-11+
InChIKeyQPMGGBTXTGCXOY-SRZZPIQSSA-N
XLogP3.72
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526723
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523471
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526834
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526735
N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526800
N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 110505804
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137166744
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 110509319
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
2-(4-aminophenyl)-N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 110515083
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (CID 110526746) is N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is COc1cc(Br)cc(/C=N/NC(=O)c2cc3ccccc3n2C)c1OC.
What is the InChIKey of N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The InChIKey is QPMGGBTXTGCXOY-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-23-15-7-5-4-6-12(15)9-16(23)19(24)22-21-11-13-8-14(20)10-17(25-2)18(13)26-3/h4-11H,1-3H3,(H,22,24)/b21-11+.
What are the key properties of N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is sourced from PubChem (CID 110526746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).