N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide

C16H13N5O5 — CID 19661491

IUPACN-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H13N5O5/c17-14(22)11-3-5-12(6-4-11)19-15(23)16(24)20-18-9-10-1-7-13(8-2-10)21(25)26/h1-9H,(H2,17,22)(H,19,23)(H,20,24)/b18-9+
InChIKeyNSEOXPATVHOBJI-GIJQJNRQSA-N
MW355.31 g/mol
LogP0.78
Rot. Bonds5

About N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide

N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide (PubChem CID 19661491) has the molecular formula C16H13N5O5 and a molecular weight of 355.31 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
PubChem CID19661491
Molecular FormulaC16H13N5O5
Molecular Weight355.31 g/mol
Exact Mass355.09
IUPAC NameN-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H13N5O5/c17-14(22)11-3-5-12(6-4-11)19-15(23)16(24)20-18-9-10-1-7-13(8-2-10)21(25)26/h1-9H,(H2,17,22)(H,19,23)(H,20,24)/b18-9+
InChIKeyNSEOXPATVHOBJI-GIJQJNRQSA-N
XLogP0.78
TPSA156.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
[4-[(E)-[[2-(3,5-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 19661644
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
4-[(4-nitrophenyl)carbamothioylamino]benzamide
CID 2956829
4-[[2-[(2Z)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid
CID 6290881
N'-[(Z)-(2-chlorophenyl)methylideneamino]-N-(4-nitrophenyl)oxamide
CID 94833568
4-(4-nitroanilino)benzamide
CID 11265357
1-[(E)-(4-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 6864430
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide (CID 19661491) is N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide is NC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
The InChIKey is NSEOXPATVHOBJI-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13N5O5/c17-14(22)11-3-5-12(6-4-11)19-15(23)16(24)20-18-9-10-1-7-13(8-2-10)21(25)26/h1-9H,(H2,17,22)(H,19,23)(H,20,24)/b18-9+.
What are the key properties of N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide?
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide has a molecular weight of 355.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide is sourced from PubChem (CID 19661491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).