2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide

C30H26Cl2N2O4 — CID 19657560

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C30H26Cl2N2O4/c1-2-36-29-16-22(12-15-28(29)37-19-21-8-4-3-5-9-21)18-33-34-30(35)25-10-6-7-11-27(25)38-20-23-13-14-24(31)17-26(23)32/h3-18H,2,19-20H2,1H3,(H,34,35)/b33-18+
InChIKeyRRLXPMXABSTMQI-DPNNOFEESA-N
MW549.45 g/mol
LogP7.31
Rot. Bonds11

About 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 19657560) has the molecular formula C30H26Cl2N2O4 and a molecular weight of 549.45 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID19657560
Molecular FormulaC30H26Cl2N2O4
Molecular Weight549.45 g/mol
Exact Mass548.13
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C30H26Cl2N2O4/c1-2-36-29-16-22(12-15-28(29)37-19-21-8-4-3-5-9-21)18-33-34-30(35)25-10-6-7-11-27(25)38-20-23-13-14-24(31)17-26(23)32/h3-18H,2,19-20H2,1H3,(H,34,35)/b33-18+
InChIKeyRRLXPMXABSTMQI-DPNNOFEESA-N
XLogP7.31
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.45
LogP ≤ 57.31
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

2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657564
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
2-bromo-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 17245276
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135833086
N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315371
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126322826
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110509220
4-chloro-N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110340066

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide (CID 19657560) is 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide is CCOc1cc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is RRLXPMXABSTMQI-DPNNOFEESA-N. The full InChI is InChI=1S/C30H26Cl2N2O4/c1-2-36-29-16-22(12-15-28(29)37-19-21-8-4-3-5-9-21)18-33-34-30(35)25-10-6-7-11-27(25)38-20-23-13-14-24(31)17-26(23)32/h3-18H,2,19-20H2,1H3,(H,34,35)/b33-18+.
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 549.45 g/mol, XLogP of 7.31, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 19657560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).