N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

C17H14BrN3O — CID 5371768

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c18-14-7-5-12(6-8-14)10-20-21-17(22)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)/b20-10-
InChIKeyFYBMMQXHTGSSMA-JMIUGGIZSA-N
MW356.22 g/mol
LogP3.62
Rot. Bonds4

About N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 5371768) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID5371768
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N/N=C\c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O/c18-14-7-5-12(6-8-14)10-20-21-17(22)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)/b20-10-
InChIKeyFYBMMQXHTGSSMA-JMIUGGIZSA-N
XLogP3.62
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.62
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)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 136627449
2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
CID 143326661
N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 6736385
2-(1H-indol-3-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 90481709
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 42034300
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 135804145
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (CID 5371768) is N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)N/N=C\c1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is FYBMMQXHTGSSMA-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-14-7-5-12(6-8-14)10-20-21-17(22)9-13-11-19-16-4-2-1-3-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 356.22 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 5371768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).