5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide

C19H18BrN3O2 — CID 73352812

IUPAC5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C
InChIInChI=1S/C19H18BrN3O2/c1-3-15(17-10-12-6-4-5-7-16(12)23(17)2)21-22-19(25)14-11-13(20)8-9-18(14)24/h4-11,24H,3H2,1-2H3,(H,22,25)
InChIKeySYKROELTMNORDZ-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.19
Rot. Bonds4

About 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide

5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide (PubChem CID 73352812) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide
PubChem CID73352812
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C
InChIInChI=1S/C19H18BrN3O2/c1-3-15(17-10-12-6-4-5-7-16(12)23(17)2)21-22-19(25)14-11-13(20)8-9-18(14)24/h4-11,24H,3H2,1-2H3,(H,22,25)
InChIKeySYKROELTMNORDZ-UHFFFAOYSA-N
XLogP4.19
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.19
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide (CID 73352812) is 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide is CCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C.
What is the InChIKey of 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide?
The InChIKey is SYKROELTMNORDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c1-3-15(17-10-12-6-4-5-7-16(12)23(17)2)21-22-19(25)14-11-13(20)8-9-18(14)24/h4-11,24H,3H2,1-2H3,(H,22,25).
What are the key properties of 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide?
5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide has a molecular weight of 400.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide is sourced from PubChem (CID 73352812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).