N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide

C16H11Cl2N3O — CID 5339577

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc2cc[nH]c12
InChIInChI=1S/C16H11Cl2N3O/c17-12-5-4-11(14(18)8-12)9-20-21-16(22)13-3-1-2-10-6-7-19-15(10)13/h1-9,19H,(H,21,22)/b20-9-
InChIKeyILHFDCVMRICFTJ-UKWGHVSLSA-N
MW332.19 g/mol
LogP4.24
Rot. Bonds3

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide (PubChem CID 5339577) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
PubChem CID5339577
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc2cc[nH]c12
InChIInChI=1S/C16H11Cl2N3O/c17-12-5-4-11(14(18)8-12)9-20-21-16(22)13-3-1-2-10-6-7-19-15(10)13/h1-9,19H,(H,21,22)/b20-9-
InChIKeyILHFDCVMRICFTJ-UKWGHVSLSA-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-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide
CID 135959939
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
2-[(E)-(1H-indole-7-carbonylhydrazinylidene)methyl]-4-nitrophenolate
CID 6870682
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-(furan-2-ylmethylideneamino)-1H-indole-7-carboxamide
CID 934241
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126092170
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 6154481
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6036868

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide (CID 5339577) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide?
The InChIKey is ILHFDCVMRICFTJ-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-12-5-4-11(14(18)8-12)9-20-21-16(22)13-3-1-2-10-6-7-19-15(10)13/h1-9,19H,(H,21,22)/b20-9-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-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-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide is sourced from PubChem (CID 5339577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).