N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide

C17H17Cl2N3O3 — CID 135612298

IUPACN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C(\C)c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-10(14-7-11(18)8-15(19)17(14)24)21-22-16(23)9-20-12-3-5-13(25-2)6-4-12/h3-8,20,24H,9H2,1-2H3,(H,22,23)/b21-10+
InChIKeyOJTQXHYFYLMDJT-UFFVCSGVSA-N
MW382.25 g/mol
LogP3.66
Rot. Bonds6

About N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide

N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide (PubChem CID 135612298) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
PubChem CID135612298
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC NameN-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C(\C)c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C17H17Cl2N3O3/c1-10(14-7-11(18)8-15(19)17(14)24)21-22-16(23)9-20-12-3-5-13(25-2)6-4-12/h3-8,20,24H,9H2,1-2H3,(H,22,23)/b21-10+
InChIKeyOJTQXHYFYLMDJT-UFFVCSGVSA-N
XLogP3.66
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4258714
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647669
N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
CID 968169
2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6167892
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 137104459
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 137138457
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135821378
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 135676383

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide (CID 135612298) is N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)N/N=C(\C)c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
The InChIKey is OJTQXHYFYLMDJT-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c1-10(14-7-11(18)8-15(19)17(14)24)21-22-16(23)9-20-12-3-5-13(25-2)6-4-12/h3-8,20,24H,9H2,1-2H3,(H,22,23)/b21-10+.
What are the key properties of N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide has a molecular weight of 382.25 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 135612298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).