N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide

C16H15N5O5 — CID 135491252

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccc1O
InChIInChI=1S/C16H15N5O5/c22-14-7-2-1-4-11(14)9-18-20-15(23)10-17-16(24)19-12-5-3-6-13(8-12)21(25)26/h1-9,22H,10H2,(H,20,23)(H2,17,19,24)/b18-9+
InChIKeyAUFPYOYHQZLGLC-GIJQJNRQSA-N
MW357.33 g/mol
LogP1.57
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide (PubChem CID 135491252) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
PubChem CID135491252
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
SMILESO=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccc1O
InChIInChI=1S/C16H15N5O5/c22-14-7-2-1-4-11(14)9-18-20-15(23)10-17-16(24)19-12-5-3-6-13(8-12)21(25)26/h1-9,22H,10H2,(H,20,23)(H2,17,19,24)/b18-9+
InChIKeyAUFPYOYHQZLGLC-GIJQJNRQSA-N
XLogP1.57
TPSA145.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

1-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135421604
N-ethyl-2-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 135438780
N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]-2-(phenylamino)acetohydrazide
CID 135821460
N-(2,5-dimethylphenyl)-2-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-2-oxoacetamide
CID 135419543
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide
CID 9554986
2-Anilino-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135684822
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 135491245
2-[(4-Fluorophenyl)amino]-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]acetohydrazide
CID 135804461
2-(3-(4-Fluorophenyl)ureido)acetic (3-hydroxybenzylidene)hydrazide
CID 9630869
2-[(2E)-2-(2-hydroxy-5-nitrobenzylidene)hydrazinyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 135620037
1-[(2-Hydroxy-5-nitrophenyl)methylideneamino]-3-phenylurea
CID 3109086
N'-[(2-hydroxyphenyl)methylideneamino]-N-phenyloxamide
CID 4657775

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide (CID 135491252) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide is O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide?
The InChIKey is AUFPYOYHQZLGLC-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15N5O5/c22-14-7-2-1-4-11(14)9-18-20-15(23)10-17-16(24)19-12-5-3-6-13(8-12)21(25)26/h1-9,22H,10H2,(H,20,23)(H2,17,19,24)/b18-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide has a molecular weight of 357.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(3-nitrophenyl)carbamoylamino]acetamide is sourced from PubChem (CID 135491252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).