N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide

C17H16ClN3O5 — CID 136693036

IUPACN-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C17H16ClN3O5/c1-25-13-6-10(7-14(26-2)15(13)22)9-19-21-17(24)16(23)20-12-5-3-4-11(18)8-12/h3-9,22H,1-2H3,(H,20,23)(H,21,24)/b19-9-
InChIKeyVEKSMSXVPDRSAR-OCKHKDLRSA-N
MW377.78 g/mol
LogP2.15
Rot. Bonds5

About N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide

N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 136693036) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID136693036
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC NameN-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C17H16ClN3O5/c1-25-13-6-10(7-14(26-2)15(13)22)9-19-21-17(24)16(23)20-12-5-3-4-11(18)8-12/h3-9,22H,1-2H3,(H,20,23)(H,21,24)/b19-9-
InChIKeyVEKSMSXVPDRSAR-OCKHKDLRSA-N
XLogP2.15
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-(3-chlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 3102361
N-(3-chlorophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 94848465
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135646994
N-(3-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]oxamide
CID 4245956
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 136884193
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
N-(3-chlorophenyl)-N'-[(Z)-[3-methoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126266479
[4-[[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4187456
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6042050
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-chloroanilino)acetamide
CID 136697648
N'-[(Z)-[3-bromo-4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126173004
N-(3-chlorophenyl)-N'-[(3-ethoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 4135098

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide (CID 136693036) is N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide is COc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1O.
What is the InChIKey of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is VEKSMSXVPDRSAR-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c1-25-13-6-10(7-14(26-2)15(13)22)9-19-21-17(24)16(23)20-12-5-3-4-11(18)8-12/h3-9,22H,1-2H3,(H,20,23)(H,21,24)/b19-9-.
What are the key properties of N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide?
N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 377.78 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 136693036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).