N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide

C18H16BrN3O2 — CID 135479646

IUPACN-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1
InChIInChI=1S/C18H16BrN3O2/c1-10-8-14-16(9-15(10)19)21-18(24)17(14)20-12-4-6-13(7-5-12)22(3)11(2)23/h4-9H,1-3H3,(H,20,21,24)
InChIKeyRHFDCIWANSMLQA-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.81
Rot. Bonds2

About N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide

N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide (PubChem CID 135479646) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide
PubChem CID135479646
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1
InChIInChI=1S/C18H16BrN3O2/c1-10-8-14-16(9-15(10)19)21-18(24)17(14)20-12-4-6-13(7-5-12)22(3)11(2)23/h4-9H,1-3H3,(H,20,21,24)
InChIKeyRHFDCIWANSMLQA-UHFFFAOYSA-N
XLogP3.81
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide (CID 135479646) is N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1.
What is the InChIKey of N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide?
The InChIKey is RHFDCIWANSMLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-10-8-14-16(9-15(10)19)21-18(24)17(14)20-12-4-6-13(7-5-12)22(3)11(2)23/h4-9H,1-3H3,(H,20,21,24).
What are the key properties of N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide?
N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide has a molecular weight of 386.25 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-bromo-5-methyl-2-oxo-1H-indol-3-ylidene)amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 135479646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).