N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide

C18H17BrN4O2 — CID 135730990

IUPACN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H17BrN4O2/c1-25-17-5-3-2-4-16(17)21-11-18(24)23-22-10-12-9-20-15-7-6-13(19)8-14(12)15/h2-10,20-21H,11H2,1H3,(H,23,24)/b22-10+
InChIKeyLMGOKZAYGQUBQJ-LSHDLFTRSA-N
MW401.26 g/mol
LogP3.50
Rot. Bonds6

About N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 135730990) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID135730990
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C18H17BrN4O2/c1-25-17-5-3-2-4-16(17)21-11-18(24)23-22-10-12-9-20-15-7-6-13(19)8-14(12)15/h2-10,20-21H,11H2,1H3,(H,23,24)/b22-10+
InChIKeyLMGOKZAYGQUBQJ-LSHDLFTRSA-N
XLogP3.50
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.50
H-Bond Donors ≤ 53
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

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 3675951
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 135489011
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135606782
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide (CID 135730990) is N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)N/N=C/c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is LMGOKZAYGQUBQJ-LSHDLFTRSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-25-17-5-3-2-4-16(17)21-11-18(24)23-22-10-12-9-20-15-7-6-13(19)8-14(12)15/h2-10,20-21H,11H2,1H3,(H,23,24)/b22-10+.
What are the key properties of N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 401.26 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 135730990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).