N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide

C20H22Cl2N2O4 — CID 3460491

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C20H22Cl2N2O4/c1-4-26-17-9-14(10-18(27-5-2)19(17)28-6-3)20(25)24-23-12-13-7-8-15(21)11-16(13)22/h7-12H,4-6H2,1-3H3,(H,24,25)
InChIKeyPTXSGKLUWWJEIN-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.95
Rot. Bonds9

About N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide

N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide (PubChem CID 3460491) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
PubChem CID3460491
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc(OCC)c1OCC
InChIInChI=1S/C20H22Cl2N2O4/c1-4-26-17-9-14(10-18(27-5-2)19(17)28-6-3)20(25)24-23-12-13-7-8-15(21)11-16(13)22/h7-12H,4-6H2,1-3H3,(H,24,25)
InChIKeyPTXSGKLUWWJEIN-UHFFFAOYSA-N
XLogP4.95
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide
CID 4256811
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1184922
N-[(E)-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246357
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 135577243
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide (CID 3460491) is N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc(OCC)c1OCC.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide?
The InChIKey is PTXSGKLUWWJEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-4-26-17-9-14(10-18(27-5-2)19(17)28-6-3)20(25)24-23-12-13-7-8-15(21)11-16(13)22/h7-12H,4-6H2,1-3H3,(H,24,25).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide?
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide has a molecular weight of 425.31 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 3460491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).