N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide

C18H18ClN3O4 — CID 94833531

IUPACN-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H18ClN3O4/c1-3-26-15-7-5-4-6-12(15)11-20-22-18(24)17(23)21-13-8-9-16(25-2)14(19)10-13/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/b20-11-
InChIKeyKIJHNHBOILDYFQ-JAIQZWGSSA-N
MW375.81 g/mol
LogP2.84
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide

N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide (PubChem CID 94833531) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
PubChem CID94833531
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H18ClN3O4/c1-3-26-15-7-5-4-6-12(15)11-20-22-18(24)17(23)21-13-8-9-16(25-2)14(19)10-13/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/b20-11-
InChIKeyKIJHNHBOILDYFQ-JAIQZWGSSA-N
XLogP2.84
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126276759
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8931569
N'-[(Z)-[2-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126156631
N-(3-chloro-4-methoxyphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955393
N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 51061218
methyl 2-[4-[(Z)-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832891
N-(2-ethoxyphenyl)-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988821
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 45054809
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 8931675
3-chloro-4-methoxy-N-[(E)-(2-propoxyphenyl)methylideneamino]aniline
CID 110505389
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide (CID 94833531) is N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide is CCOc1ccccc1/C=N\NC(=O)C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
The InChIKey is KIJHNHBOILDYFQ-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-3-26-15-7-5-4-6-12(15)11-20-22-18(24)17(23)21-13-8-9-16(25-2)14(19)10-13/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/b20-11-.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide?
N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide has a molecular weight of 375.81 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N'-[(Z)-(2-ethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 94833531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).