N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide

C17H16Cl2N2O2 — CID 4931422

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-2-9-23-16-6-4-3-5-14(16)17(22)21-20-11-12-7-8-13(18)10-15(12)19/h3-8,10-11H,2,9H2,1H3,(H,21,22)
InChIKeyDZIRXUGFGIPELL-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.55
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide

N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide (PubChem CID 4931422) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
PubChem CID4931422
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-2-9-23-16-6-4-3-5-14(16)17(22)21-20-11-12-7-8-13(18)10-15(12)19/h3-8,10-11H,2,9H2,1H3,(H,21,22)
InChIKeyDZIRXUGFGIPELL-UHFFFAOYSA-N
XLogP4.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.55
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

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142
2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
CID 4931391
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126055864
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide (CID 4931422) is N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NN=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide?
The InChIKey is DZIRXUGFGIPELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-9-23-16-6-4-3-5-14(16)17(22)21-20-11-12-7-8-13(18)10-15(12)19/h3-8,10-11H,2,9H2,1H3,(H,21,22).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide?
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide has a molecular weight of 351.23 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide is sourced from PubChem (CID 4931422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).