N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

C16H13N7O4 — CID 3101648

IUPACN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H13N7O4/c24-14-7-6-13(23(26)27)8-12(14)9-17-18-15(25)10-22-20-16(19-21-22)11-4-2-1-3-5-11/h1-9,24H,10H2,(H,18,25)
InChIKeyALXSTFKKYVMBAO-UHFFFAOYSA-N
MW367.33 g/mol
LogP1.10
Rot. Bonds6

About N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 3101648) has the molecular formula C16H13N7O4 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID3101648
Molecular FormulaC16H13N7O4
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H13N7O4/c24-14-7-6-13(23(26)27)8-12(14)9-17-18-15(25)10-22-20-16(19-21-22)11-4-2-1-3-5-11/h1-9,24H,10H2,(H,18,25)
InChIKeyALXSTFKKYVMBAO-UHFFFAOYSA-N
XLogP1.10
TPSA148.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide (CID 3101648) is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is ALXSTFKKYVMBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O4/c24-14-7-6-13(23(26)27)8-12(14)9-17-18-15(25)10-22-20-16(19-21-22)11-4-2-1-3-5-11/h1-9,24H,10H2,(H,18,25).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 367.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 3101648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).