N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide

C20H23ClN2O4 — CID 110505995

IUPACN-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCCCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OCC
InChIInChI=1S/C20H23ClN2O4/c1-4-9-27-19-17(21)10-14(11-18(19)26-5-2)13-22-23-20(24)15-7-6-8-16(12-15)25-3/h6-8,10-13H,4-5,9H2,1-3H3,(H,23,24)/b22-13+
InChIKeyIDRHUJDRMOQLNN-LPYMAVHISA-N
MW390.87 g/mol
LogP4.30
Rot. Bonds9

About N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide

N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 110505995) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
PubChem CID110505995
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC NameN-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
SMILESCCCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OCC
InChIInChI=1S/C20H23ClN2O4/c1-4-9-27-19-17(21)10-14(11-18(19)26-5-2)13-22-23-20(24)15-7-6-8-16(12-15)25-3/h6-8,10-13H,4-5,9H2,1-3H3,(H,23,24)/b22-13+
InChIKeyIDRHUJDRMOQLNN-LPYMAVHISA-N
XLogP4.30
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.30
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

N-[(E)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126341638
N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 126263181
methyl N-[[3-chloro-5-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 3597102
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460784
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 126381668
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxybenzamide
CID 3329180
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 9235761
N-[(E)-[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322864
N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169499
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509413
N-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126309772

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide (CID 110505995) is N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide is CCCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(OC)c2)cc1OCC.
What is the InChIKey of N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is IDRHUJDRMOQLNN-LPYMAVHISA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-9-27-19-17(21)10-14(11-18(19)26-5-2)13-22-23-20(24)15-7-6-8-16(12-15)25-3/h6-8,10-13H,4-5,9H2,1-3H3,(H,23,24)/b22-13+.
What are the key properties of N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide?
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide has a molecular weight of 390.87 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 110505995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).