N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide

C20H21ClN2O3 — CID 133169698

IUPACN-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide
SMILESC=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C20H21ClN2O3/c1-3-11-25-18-8-5-15(6-9-18)20(24)23-22-14-16-13-17(21)7-10-19(16)26-12-4-2/h4-10,13-14H,2-3,11-12H2,1H3,(H,23,24)/b22-14+
InChIKeyDRWOURUAOTUYDQ-HYARGMPZSA-N
MW372.85 g/mol
LogP4.46
Rot. Bonds9

About N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide

N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide (PubChem CID 133169698) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide
PubChem CID133169698
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide
SMILESC=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(OCCC)cc1
InChIInChI=1S/C20H21ClN2O3/c1-3-11-25-18-8-5-15(6-9-18)20(24)23-22-14-16-13-17(21)7-10-19(16)26-12-4-2/h4-10,13-14H,2-3,11-12H2,1H3,(H,23,24)/b22-14+
InChIKeyDRWOURUAOTUYDQ-HYARGMPZSA-N
XLogP4.46
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 17246115
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169709
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 136718827
4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
CID 3312356
N-[(Z)-[5-chloro-2-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 92659078
N-[(E)-[5-chloro-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 133169708
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 126103010
N-[(Z)-(5-chloro-2-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148787
N-[(E)-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246357

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide (CID 133169698) is N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide is C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(OCCC)cc1.
What is the InChIKey of N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide?
The InChIKey is DRWOURUAOTUYDQ-HYARGMPZSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-3-11-25-18-8-5-15(6-9-18)20(24)23-22-14-16-13-17(21)7-10-19(16)26-12-4-2/h4-10,13-14H,2-3,11-12H2,1H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide?
N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide has a molecular weight of 372.85 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).