2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide

C19H18BrN3O — CID 17245319

IUPAC2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
SMILESCCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C19H18BrN3O/c1-3-23-13(2)16(14-8-5-7-11-18(14)23)12-21-22-19(24)15-9-4-6-10-17(15)20/h4-12H,3H2,1-2H3,(H,22,24)/b21-12+
InChIKeySIVFUUGGBQRBQO-CIAFOILYSA-N
MW384.28 g/mol
LogP4.50
Rot. Bonds4

About 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide

2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide (PubChem CID 17245319) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
PubChem CID17245319
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
SMILESCCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21
InChIInChI=1S/C19H18BrN3O/c1-3-23-13(2)16(14-8-5-7-11-18(14)23)12-21-22-19(24)15-9-4-6-10-17(15)20/h4-12H,3H2,1-2H3,(H,22,24)/b21-12+
InChIKeySIVFUUGGBQRBQO-CIAFOILYSA-N
XLogP4.50
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
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

2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-bromo-N-[(E)-[1-[(4-iodophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 17245541
2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 126375327
1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524186
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
2-hydroxy-N-[(E)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 21380028
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
1-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-3-phenylthiourea
CID 110508605
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
2-bromo-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzamide
CID 9016454
2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 3637449
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526283

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide (CID 17245319) is 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide is CCn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21.
What is the InChIKey of 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The InChIKey is SIVFUUGGBQRBQO-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-3-23-13(2)16(14-8-5-7-11-18(14)23)12-21-22-19(24)15-9-4-6-10-17(15)20/h4-12H,3H2,1-2H3,(H,22,24)/b21-12+.
What are the key properties of 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide has a molecular weight of 384.28 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 17245319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).