N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide

C24H20BrN3O — CID 3382244

IUPACN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
SMILESCc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H20BrN3O/c1-17-22(15-26-27-24(29)19-11-13-20(25)14-12-19)21-9-5-6-10-23(21)28(17)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,27,29)
InChIKeyCXWXWJXCDKZYAL-UHFFFAOYSA-N
MW446.35 g/mol
LogP5.52
Rot. Bonds5

About N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide (PubChem CID 3382244) has the molecular formula C24H20BrN3O and a molecular weight of 446.35 g/mol. Its IUPAC name is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
PubChem CID3382244
Molecular FormulaC24H20BrN3O
Molecular Weight446.35 g/mol
Exact Mass445.08
IUPAC NameN-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
SMILESCc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H20BrN3O/c1-17-22(15-26-27-24(29)19-11-13-20(25)14-12-19)21-9-5-6-10-23(21)28(17)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,27,29)
InChIKeyCXWXWJXCDKZYAL-UHFFFAOYSA-N
XLogP5.52
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.35
LogP ≤ 55.52
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

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
CID 95395790
4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 4299532
1-[[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-ethylthiourea
CID 4260907
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
2-bromo-N-[(E)-[1-[(4-iodophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 17245541
N-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 5029475
N-[(Z)-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 126257537
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide?
The IUPAC name of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide (CID 3382244) is N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide.
What is the SMILES notation for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide?
The canonical SMILES for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide is Cc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide?
The InChIKey is CXWXWJXCDKZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O/c1-17-22(15-26-27-24(29)19-11-13-20(25)14-12-19)21-9-5-6-10-23(21)28(17)16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide?
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide has a molecular weight of 446.35 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide is sourced from PubChem (CID 3382244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).