N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide

C12H13ClN4O4 — CID 8990228

IUPACN'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C12H13ClN4O4/c1-15-11(19)12(20)17-16-5-7-2-3-9(8(13)4-7)21-6-10(14)18/h2-5H,6H2,1H3,(H2,14,18)(H,15,19)(H,17,20)/b16-5-
InChIKeyVFGOEYJOYYQGPU-BNCCVWRVSA-N
MW312.71 g/mol
LogP-0.60
Rot. Bonds5

About N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide

N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide (PubChem CID 8990228) has the molecular formula C12H13ClN4O4 and a molecular weight of 312.71 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide
PubChem CID8990228
Molecular FormulaC12H13ClN4O4
Molecular Weight312.71 g/mol
Exact Mass312.06
IUPAC NameN'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)c(Cl)c1
InChIInChI=1S/C12H13ClN4O4/c1-15-11(19)12(20)17-16-5-7-2-3-9(8(13)4-7)21-6-10(14)18/h2-5H,6H2,1H3,(H2,14,18)(H,15,19)(H,17,20)/b16-5-
InChIKeyVFGOEYJOYYQGPU-BNCCVWRVSA-N
XLogP-0.60
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.71
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
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'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930270
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(3-propan-2-yloxypropyl)oxamide
CID 8990254
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
N'-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 19658472
N'-[(Z)-[3-chloro-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-methyloxamide
CID 126165611
2-[2-chloro-4-[(Z)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989860
2-[2-chloro-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989828
[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
CID 110540127
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-methyloxamide
CID 126160449
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 8931675
2-[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 1233295

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide (CID 8990228) is N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C\c1ccc(OCC(N)=O)c(Cl)c1.
What is the InChIKey of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide?
The InChIKey is VFGOEYJOYYQGPU-BNCCVWRVSA-N. The full InChI is InChI=1S/C12H13ClN4O4/c1-15-11(19)12(20)17-16-5-7-2-3-9(8(13)4-7)21-6-10(14)18/h2-5H,6H2,1H3,(H2,14,18)(H,15,19)(H,17,20)/b16-5-.
What are the key properties of N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide?
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide has a molecular weight of 312.71 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide is sourced from PubChem (CID 8990228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).