2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide

C23H17ClN4O2 — CID 10136695

IUPAC2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1[nH]c2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H17ClN4O2/c24-16-12-10-15(11-13-16)14-25-28-23(30)21-20(18-8-4-5-9-19(18)27-21)22(29)26-17-6-2-1-3-7-17/h1-14,27H,(H,26,29)(H,28,30)/b25-14+
InChIKeyQAIQSHKAYZIWRO-AFUMVMLFSA-N
MW416.87 g/mol
LogP4.84
Rot. Bonds5

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

2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide (PubChem CID 10136695) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide
PubChem CID10136695
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1[nH]c2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H17ClN4O2/c24-16-12-10-15(11-13-16)14-25-28-23(30)21-20(18-8-4-5-9-19(18)27-21)22(29)26-17-6-2-1-3-7-17/h1-14,27H,(H,26,29)(H,28,30)/b25-14+
InChIKeyQAIQSHKAYZIWRO-AFUMVMLFSA-N
XLogP4.84
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.84
H-Bond Donors ≤ 53
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 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide 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-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
N-[(4-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 70130221
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
4-[[2-[[(E)-(4-carboxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]iminomethyl]benzoic acid
CID 14983887
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 10200017
[2-methoxy-4-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126402849
N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide
CID 70131737

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide?
The IUPAC name of 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide (CID 10136695) is 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide.
What is the SMILES notation for 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide?
The canonical SMILES for 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide is O=C(N/N=C/c1ccc(Cl)cc1)c1[nH]c2ccccc2c1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide?
The InChIKey is QAIQSHKAYZIWRO-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c24-16-12-10-15(11-13-16)14-25-28-23(30)21-20(18-8-4-5-9-19(18)27-21)22(29)26-17-6-2-1-3-7-17/h1-14,27H,(H,26,29)(H,28,30)/b25-14+.
What are the key properties of 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide?
2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide has a molecular weight of 416.87 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide is sourced from PubChem (CID 10136695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).