4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide

C17H14BrN3O2 — CID 135606782

IUPAC4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H14BrN3O2/c1-23-14-6-7-16-15(8-14)12(9-19-16)10-20-21-17(22)11-2-4-13(18)5-3-11/h2-10,19H,1H3,(H,21,22)/b20-10+
InChIKeyLBDNQLMXOPEVOD-KEBDBYFISA-N
MW372.22 g/mol
LogP3.70
Rot. Bonds4

About 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide

4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135606782) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135606782
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2[nH]cc(/C=N/NC(=O)c3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H14BrN3O2/c1-23-14-6-7-16-15(8-14)12(9-19-16)10-20-21-17(22)11-2-4-13(18)5-3-11/h2-10,19H,1H3,(H,21,22)/b20-10+
InChIKeyLBDNQLMXOPEVOD-KEBDBYFISA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-1H-indol-3-yl)methylideneamino]-4-nitrobenzamide
CID 135715694
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 135399898
N-[(5-bromo-1H-indol-3-yl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4152229
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 172938324
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135438347
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide (CID 135606782) is 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide is COc1ccc2[nH]cc(/C=N/NC(=O)c3ccc(Br)cc3)c2c1.
What is the InChIKey of 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is LBDNQLMXOPEVOD-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-23-14-6-7-16-15(8-14)12(9-19-16)10-20-21-17(22)11-2-4-13(18)5-3-11/h2-10,19H,1H3,(H,21,22)/b20-10+.
What are the key properties of 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide?
4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 372.22 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135606782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).