N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide

C17H13Cl2N3O — CID 5413730

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O/c18-13-6-5-12(15(19)8-13)10-20-22-17(23)9-14-7-11-3-1-2-4-16(11)21-14/h1-8,10,21H,9H2,(H,22,23)/b20-10-
InChIKeyKWRYJRBLQRLYCK-JMIUGGIZSA-N
MW346.22 g/mol
LogP4.17
Rot. Bonds4

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide (PubChem CID 5413730) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
PubChem CID5413730
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O/c18-13-6-5-12(15(19)8-13)10-20-22-17(23)9-14-7-11-3-1-2-4-16(11)21-14/h1-8,10,21H,9H2,(H,22,23)/b20-10-
InChIKeyKWRYJRBLQRLYCK-JMIUGGIZSA-N
XLogP4.17
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.17
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-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 134876078
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 1363976
2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide
CID 3574124
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6036868
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 96890236
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
CID 4744533
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide (CID 5413730) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide is O=C(Cc1cc2ccccc2[nH]1)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
The InChIKey is KWRYJRBLQRLYCK-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-13-6-5-12(15(19)8-13)10-20-22-17(23)9-14-7-11-3-1-2-4-16(11)21-14/h1-8,10,21H,9H2,(H,22,23)/b20-10-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide has a molecular weight of 346.22 g/mol, XLogP of 4.17, 4 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]-2-(1H-indol-2-yl)acetamide is sourced from PubChem (CID 5413730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).