N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide

C23H16Cl2N4O — CID 14983889

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1[nH]c2ccccc2c1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N4O/c24-17-9-5-15(6-10-17)13-26-21-19-3-1-2-4-20(19)28-22(21)23(30)29-27-14-16-7-11-18(25)12-8-16/h1-14,28H,(H,29,30)/b26-13+,27-14+
InChIKeyVYXLUPBGINKXOW-BMNRKXRESA-N
MW435.31 g/mol
LogP5.99
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide

N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 14983889) has the molecular formula C23H16Cl2N4O and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID14983889
Molecular FormulaC23H16Cl2N4O
Molecular Weight435.31 g/mol
Exact Mass434.07
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1[nH]c2ccccc2c1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl2N4O/c24-17-9-5-15(6-10-17)13-26-21-19-3-1-2-4-20(19)28-22(21)23(30)29-27-14-16-7-11-18(25)12-8-16/h1-14,28H,(H,29,30)/b26-13+,27-14+
InChIKeyVYXLUPBGINKXOW-BMNRKXRESA-N
XLogP5.99
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.31
LogP ≤ 55.99
H-Bond Donors ≤ 52
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-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide 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

4-[[2-[[(E)-(4-carboxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]iminomethyl]benzoic acid
CID 14983887
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983883
2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide
CID 10136695
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 10200017
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide
CID 6103084

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide (CID 14983889) is N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1)c1[nH]c2ccccc2c1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is VYXLUPBGINKXOW-BMNRKXRESA-N. The full InChI is InChI=1S/C23H16Cl2N4O/c24-17-9-5-15(6-10-17)13-26-21-19-3-1-2-4-20(19)28-22(21)23(30)29-27-14-16-7-11-18(25)12-8-16/h1-14,28H,(H,29,30)/b26-13+,27-14+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 435.31 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 14983889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).