2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

C16H11Cl2N3O — CID 136663043

IUPAC2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-11-5-6-13(14(18)7-11)16(22)21-20-9-10-8-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,21,22)/b20-9-
InChIKeyMOTNRAYXMMCECS-UKWGHVSLSA-N
MW332.19 g/mol
LogP4.24
Rot. Bonds3

About 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 136663043) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID136663043
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2N3O/c17-11-5-6-13(14(18)7-11)16(22)21-20-9-10-8-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,21,22)/b20-9-
InChIKeyMOTNRAYXMMCECS-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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
1-[(2,4-dichlorophenyl)methyl]-N-[(E)-1H-indol-3-ylmethylideneamino]pyrazole-3-carboxamide
CID 135411501
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1H-indol-3-ylmethylideneamino]propanamide
CID 136672401
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 1493686

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (CID 136663043) is 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is MOTNRAYXMMCECS-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-11-5-6-13(14(18)7-11)16(22)21-20-9-10-8-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,21,22)/b20-9-.
What are the key properties of 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide 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 2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 136663043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).