N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide

C16H14ClN3O2 — CID 2244358

IUPACN'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1
InChIInChI=1S/C16H14ClN3O2/c17-14-8-6-13(7-9-14)10-18-15(21)16(22)20-19-11-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,21)(H,20,22)
InChIKeyYBRJHPVHCYTFIZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.11
Rot. Bonds4

About N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide

N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide (PubChem CID 2244358) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
PubChem CID2244358
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1
InChIInChI=1S/C16H14ClN3O2/c17-14-8-6-13(7-9-14)10-18-15(21)16(22)20-19-11-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,21)(H,20,22)
InChIKeyYBRJHPVHCYTFIZ-UHFFFAOYSA-N
XLogP2.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[4-[(E)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659564
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898840
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989345
N-benzyl-N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174356
N-[(4-chlorophenyl)methyl]-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 5073412
4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 7034323
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 3488910
N'-[(2-chlorophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 84867392
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8901056
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064

Frequently Asked Questions

What is the IUPAC name of N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide (CID 2244358) is N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NN=Cc1ccccc1.
What is the InChIKey of N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide?
The InChIKey is YBRJHPVHCYTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-14-8-6-13(7-9-14)10-18-15(21)16(22)20-19-11-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,21)(H,20,22).
What are the key properties of N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide?
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide has a molecular weight of 315.76 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 2244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).