N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide

C11H10ClN3O4 — CID 4050584

IUPACN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1
InChIInChI=1S/C11H10ClN3O4/c12-8-3-7(10(16)9(4-8)15(18)19)5-13-14-11(17)6-1-2-6/h3-6,16H,1-2H2,(H,14,17)
InChIKeyFGGJJOOXWASQDL-UHFFFAOYSA-N
MW283.67 g/mol
LogP1.81
Rot. Bonds4

About N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide

N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 4050584) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID4050584
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC NameN-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1
InChIInChI=1S/C11H10ClN3O4/c12-8-3-7(10(16)9(4-8)15(18)19)5-13-14-11(17)6-1-2-6/h3-6,16H,1-2H2,(H,14,17)
InChIKeyFGGJJOOXWASQDL-UHFFFAOYSA-N
XLogP1.81
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide (CID 4050584) is N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide is O=C(NN=Cc1cc(Cl)cc([N+](=O)[O-])c1O)C1CC1.
What is the InChIKey of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is FGGJJOOXWASQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c12-8-3-7(10(16)9(4-8)15(18)19)5-13-14-11(17)6-1-2-6/h3-6,16H,1-2H2,(H,14,17).
What are the key properties of N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 283.67 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 4050584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).