N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide

C16H14ClN3O2 — CID 4249349

IUPACN-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
SMILESCC(=NNC(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H14ClN3O2/c1-11(12-6-3-2-4-7-12)19-20-16(22)15(21)18-14-9-5-8-13(17)10-14/h2-10H,1H3,(H,18,21)(H,20,22)
InChIKeyXKHRPHJQWRAFFS-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.82
Rot. Bonds3

About N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide

N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide (PubChem CID 4249349) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
PubChem CID4249349
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide
SMILESCC(=NNC(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H14ClN3O2/c1-11(12-6-3-2-4-7-12)19-20-16(22)15(21)18-14-9-5-8-13(17)10-14/h2-10H,1H3,(H,18,21)(H,20,22)
InChIKeyXKHRPHJQWRAFFS-UHFFFAOYSA-N
XLogP2.82
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.82
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

N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
CID 135554206
N-(3-chlorophenyl)-N'-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxamide
CID 6265225
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide
CID 3650302
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
1-phenyl-3-[(Z)-1-phenylethylideneamino]urea
CID 5407235
3-chloro-N-[3-[(Z)-C-methyl-N-(3-phenylpropanoylamino)carbonimidoyl]phenyl]benzamide
CID 126147743
N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide
CID 4185581
2-[(3-chlorophenyl)carbamoylhydrazinylidene]propanoic acid
CID 19168580
4-[(Z)-[[2-(3-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6042050

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide?
The IUPAC name of N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide (CID 4249349) is N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide?
The canonical SMILES for N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide is CC(=NNC(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide?
The InChIKey is XKHRPHJQWRAFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-11(12-6-3-2-4-7-12)19-20-16(22)15(21)18-14-9-5-8-13(17)10-14/h2-10H,1H3,(H,18,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide?
N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide has a molecular weight of 315.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N'-(1-phenylethylideneamino)oxamide is sourced from PubChem (CID 4249349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).