N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide

C21H16BrN3O — CID 5074421

IUPACN-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C21H16BrN3O/c22-17-8-9-20-19(11-17)16(12-23-20)13-24-25-21(26)10-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,11-13,23H,10H2,(H,25,26)
InChIKeyPYFJCERLJYDSPM-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.78
Rot. Bonds4

About N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide

N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 5074421) has the molecular formula C21H16BrN3O and a molecular weight of 406.28 g/mol. Its IUPAC name is N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID5074421
Molecular FormulaC21H16BrN3O
Molecular Weight406.28 g/mol
Exact Mass405.05
IUPAC NameN-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NN=Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C21H16BrN3O/c22-17-8-9-20-19(11-17)16(12-23-20)13-24-25-21(26)10-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,11-13,23H,10H2,(H,25,26)
InChIKeyPYFJCERLJYDSPM-UHFFFAOYSA-N
XLogP4.78
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
N-[(E)-(3-bromophenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5340905
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135489043
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetamide
CID 135812048
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 135730990
N-[(5-bromo-2-octoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3630225
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
N-[(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 3588313
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide (CID 5074421) is N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NN=Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is PYFJCERLJYDSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O/c22-17-8-9-20-19(11-17)16(12-23-20)13-24-25-21(26)10-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,11-13,23H,10H2,(H,25,26).
What are the key properties of N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide?
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 406.28 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5074421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).