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

C16H11Cl2N3O — CID 5339824

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11Cl2N3O/c17-11-6-5-10(14(18)7-11)8-20-21-16(22)13-9-19-15-4-2-1-3-12(13)15/h1-9,19H,(H,21,22)/b20-8+
InChIKeyRGHJUXHMIGETBM-DNTJNYDQSA-N
MW332.19 g/mol
LogP4.24
Rot. Bonds3

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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 5339824) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID5339824
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C16H11Cl2N3O/c17-11-6-5-10(14(18)7-11)8-20-21-16(22)13-9-19-15-4-2-1-3-12(13)15/h1-9,19H,(H,21,22)/b20-8+
InChIKeyRGHJUXHMIGETBM-DNTJNYDQSA-N
XLogP4.24
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 70121828
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide (CID 5339824) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is RGHJUXHMIGETBM-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-11-6-5-10(14(18)7-11)8-20-21-16(22)13-9-19-15-4-2-1-3-12(13)15/h1-9,19H,(H,21,22)/b20-8+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 332.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5339824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).