N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide

C19H18ClN3O3 — CID 8989345

IUPACN-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-2-11-26-17-9-5-15(6-10-17)13-22-23-19(25)18(24)21-12-14-3-7-16(20)8-4-14/h2-10,13H,1,11-12H2,(H,21,24)(H,23,25)/b22-13-
InChIKeyBCPGUZUGYCVIFO-XKZIYDEJSA-N
MW371.82 g/mol
LogP2.67
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide

N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 8989345) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID8989345
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-2-11-26-17-9-5-15(6-10-17)13-22-23-19(25)18(24)21-12-14-3-7-16(20)8-4-14/h2-10,13H,1,11-12H2,(H,21,24)(H,23,25)/b22-13-
InChIKeyBCPGUZUGYCVIFO-XKZIYDEJSA-N
XLogP2.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-benzyl-N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174356
N-(4-prop-2-enoxyphenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989337
N-(2-methylpropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989326
[4-[(E)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659564
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126278911
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N'-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930207
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 135821327

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 8989345) is N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is BCPGUZUGYCVIFO-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-2-11-26-17-9-5-15(6-10-17)13-22-23-19(25)18(24)21-12-14-3-7-16(20)8-4-14/h2-10,13H,1,11-12H2,(H,21,24)(H,23,25)/b22-13-.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 371.82 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8989345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).