2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide

C19H17Cl2N3O — CID 126375327

IUPAC2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
SMILESCCn1c(C)c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C19H17Cl2N3O/c1-3-24-12(2)16(14-6-4-5-7-18(14)24)11-22-23-19(25)15-9-8-13(20)10-17(15)21/h4-11H,3H2,1-2H3,(H,23,25)/b22-11-
InChIKeyCHSPPFQJTHQENB-JJFYIABZSA-N
MW374.27 g/mol
LogP5.04
Rot. Bonds4

About 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide

2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide (PubChem CID 126375327) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
PubChem CID126375327
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
SMILESCCn1c(C)c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C19H17Cl2N3O/c1-3-24-12(2)16(14-6-4-5-7-18(14)24)11-22-23-19(25)15-9-8-13(20)10-17(15)21/h4-11H,3H2,1-2H3,(H,23,25)/b22-11-
InChIKeyCHSPPFQJTHQENB-JJFYIABZSA-N
XLogP5.04
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.04
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524186
4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 3637449
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
N-[(E)-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126044502
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
2-hydroxy-N-[(E)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 21380028
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide (CID 126375327) is 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide is CCn1c(C)c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
The InChIKey is CHSPPFQJTHQENB-JJFYIABZSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-3-24-12(2)16(14-6-4-5-7-18(14)24)11-22-23-19(25)15-9-8-13(20)10-17(15)21/h4-11H,3H2,1-2H3,(H,23,25)/b22-11-.
What are the key properties of 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide?
2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide has a molecular weight of 374.27 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 126375327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).