N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide

C16H11BrClN3O — CID 136773544

IUPACN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1Cl
InChIInChI=1S/C16H11BrClN3O/c17-11-5-6-15-13(7-11)10(8-19-15)9-20-21-16(22)12-3-1-2-4-14(12)18/h1-9,19H,(H,21,22)/b20-9-
InChIKeySAIAEDBUCITVOH-UKWGHVSLSA-N
MW376.64 g/mol
LogP4.35
Rot. Bonds3

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

N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide (PubChem CID 136773544) has the molecular formula C16H11BrClN3O and a molecular weight of 376.64 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
PubChem CID136773544
Molecular FormulaC16H11BrClN3O
Molecular Weight376.64 g/mol
Exact Mass374.98
IUPAC NameN-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1Cl
InChIInChI=1S/C16H11BrClN3O/c17-11-5-6-15-13(7-11)10(8-19-15)9-20-21-16(22)12-3-1-2-4-14(12)18/h1-9,19H,(H,21,22)/b20-9-
InChIKeySAIAEDBUCITVOH-UKWGHVSLSA-N
XLogP4.35
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 54.35
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-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135755129
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5074421
5,7-dibromo-N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 135563380
5-bromo-2-ethoxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136843563
5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4152229
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide (CID 136773544) is N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide is O=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1ccccc1Cl.
What is the InChIKey of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide?
The InChIKey is SAIAEDBUCITVOH-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H11BrClN3O/c17-11-5-6-15-13(7-11)10(8-19-15)9-20-21-16(22)12-3-1-2-4-14(12)18/h1-9,19H,(H,21,22)/b20-9-.
What are the key properties of N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide?
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide has a molecular weight of 376.64 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 136773544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).