N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide

C25H24ClN3O4 — CID 126262426

IUPACN-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1
InChIInChI=1S/C25H24ClN3O4/c1-16-7-8-17(2)22(11-16)28-24(30)15-33-23-10-9-18(12-21(23)26)14-27-29-25(31)19-5-4-6-20(13-19)32-3/h4-14H,15H2,1-3H3,(H,28,30)(H,29,31)/b27-14+
InChIKeyKXGWFKSFIQSADO-MZJWZYIUSA-N
MW465.94 g/mol
LogP4.75
Rot. Bonds8

About N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide

N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 126262426) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
PubChem CID126262426
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1
InChIInChI=1S/C25H24ClN3O4/c1-16-7-8-17(2)22(11-16)28-24(30)15-33-23-10-9-18(12-21(23)26)14-27-29-25(31)19-5-4-6-20(13-19)32-3/h4-14H,15H2,1-3H3,(H,28,30)(H,29,31)/b27-14+
InChIKeyKXGWFKSFIQSADO-MZJWZYIUSA-N
XLogP4.75
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.75
H-Bond Donors ≤ 52
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-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126266935
N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methylbenzamide
CID 126014488
N-[(E)-[3-chloro-5-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126262439
N-[(E)-[3,5-dibromo-2-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126278906
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126020010
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
N-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 3900181
N-[(E)-[5-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126259967
N-[(E)-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 126268898
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126267926
N-[(E)-[3-chloro-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 126263181
N-[[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide
CID 3912492

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide (CID 126262426) is N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1.
What is the InChIKey of N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is KXGWFKSFIQSADO-MZJWZYIUSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-16-7-8-17(2)22(11-16)28-24(30)15-33-23-10-9-18(12-21(23)26)14-27-29-25(31)19-5-4-6-20(13-19)32-3/h4-14H,15H2,1-3H3,(H,28,30)(H,29,31)/b27-14+.
What are the key properties of N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide?
N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide has a molecular weight of 465.94 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-chloro-4-[2-(2,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 126262426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).