N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

C26H17Cl2N3O2 — CID 4539085

IUPACN-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C26H17Cl2N3O2/c27-21-12-9-17(13-22(21)28)14-29-30-25(32)19-10-7-16(8-11-19)15-31-23-6-2-4-18-3-1-5-20(24(18)23)26(31)33/h1-14H,15H2,(H,30,32)
InChIKeyUAABVPNMKPCQLB-UHFFFAOYSA-N
MW474.35 g/mol
LogP6.07
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide

N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (PubChem CID 4539085) has the molecular formula C26H17Cl2N3O2 and a molecular weight of 474.35 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
PubChem CID4539085
Molecular FormulaC26H17Cl2N3O2
Molecular Weight474.35 g/mol
Exact Mass473.07
IUPAC NameN-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
SMILESO=C(NN=Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C26H17Cl2N3O2/c27-21-12-9-17(13-22(21)28)14-29-30-25(32)19-10-7-16(8-11-19)15-31-23-6-2-4-18-3-1-5-20(24(18)23)26(31)33/h1-14H,15H2,(H,30,32)
InChIKeyUAABVPNMKPCQLB-UHFFFAOYSA-N
XLogP6.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 56.07
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'}

Analyze N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 135580234
N-[(4-cyanophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 3655735
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 4286600
N-[(E)-(2,6-difluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 6903945
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 2343026
N-[(2-fluorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 4575869
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 6903993
4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 3952663
N-[1-(4-methylphenyl)ethylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 4021962
4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzamide
CID 6066360
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524555
N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 6906307

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide (CID 4539085) is N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
The InChIKey is UAABVPNMKPCQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2N3O2/c27-21-12-9-17(13-22(21)28)14-29-30-25(32)19-10-7-16(8-11-19)15-31-23-6-2-4-18-3-1-5-20(24(18)23)26(31)33/h1-14H,15H2,(H,30,32).
What are the key properties of N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide?
N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide has a molecular weight of 474.35 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide is sourced from PubChem (CID 4539085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).