N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide

C26H25Cl2N3O5 — CID 126263181

IUPACN-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C26H25Cl2N3O5/c1-4-35-23-11-17(14-29-31-26(33)18-6-5-7-20(12-18)34-3)10-22(28)25(23)36-15-24(32)30-19-9-8-16(2)21(27)13-19/h5-14H,4,15H2,1-3H3,(H,30,32)(H,31,33)/b29-14+
InChIKeyRAXFEDLHRVYYCV-IPPBACCNSA-N
MW530.41 g/mol
LogP5.49
Rot. Bonds10

About N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide

N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 126263181) has the molecular formula C26H25Cl2N3O5 and a molecular weight of 530.41 g/mol. Its IUPAC name is N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide
PubChem CID126263181
Molecular FormulaC26H25Cl2N3O5
Molecular Weight530.41 g/mol
Exact Mass529.12
IUPAC NameN-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C26H25Cl2N3O5/c1-4-35-23-11-17(14-29-31-26(33)18-6-5-7-20(12-18)34-3)10-22(28)25(23)36-15-24(32)30-19-9-8-16(2)21(27)13-19/h5-14H,4,15H2,1-3H3,(H,30,32)(H,31,33)/b29-14+
InChIKeyRAXFEDLHRVYYCV-IPPBACCNSA-N
XLogP5.49
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.41
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126262439
N-[(E)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126318859
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 110505995
N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126260711
N-[(E)-[3-chloro-5-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126382214
N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-4-nitrobenzamide
CID 126266144
N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126318210
N-[(E)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126309260
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262841
N-[(E)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 126273588
N-[(E)-[3,5-dibromo-4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126263280
4-bromo-N-[(E)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262980

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide (CID 126263181) is N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide is CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is RAXFEDLHRVYYCV-IPPBACCNSA-N. The full InChI is InChI=1S/C26H25Cl2N3O5/c1-4-35-23-11-17(14-29-31-26(33)18-6-5-7-20(12-18)34-3)10-22(28)25(23)36-15-24(32)30-19-9-8-16(2)21(27)13-19/h5-14H,4,15H2,1-3H3,(H,30,32)(H,31,33)/b29-14+.
What are the key properties of N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide?
N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide has a molecular weight of 530.41 g/mol, XLogP of 5.49, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 126263181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).