2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C15H13ClN4O4 — CID 3695140

IUPAC2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H13ClN4O4/c16-11-2-1-3-12(7-11)17-9-15(22)19-18-8-10-6-13(20(23)24)4-5-14(10)21/h1-8,17,21H,9H2,(H,19,22)
InChIKeyONIVXPDFRKHFJQ-UHFFFAOYSA-N
MW348.75 g/mol
LogP2.52
Rot. Bonds6

About 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 3695140) has the molecular formula C15H13ClN4O4 and a molecular weight of 348.75 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID3695140
Molecular FormulaC15H13ClN4O4
Molecular Weight348.75 g/mol
Exact Mass348.06
IUPAC Name2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1cccc(Cl)c1)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H13ClN4O4/c16-11-2-1-3-12(7-11)17-9-15(22)19-18-8-10-6-13(20(23)24)4-5-14(10)21/h1-8,17,21H,9H2,(H,19,22)
InChIKeyONIVXPDFRKHFJQ-UHFFFAOYSA-N
XLogP2.52
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 52.52
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 3695140) is 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is O=C(CNc1cccc(Cl)c1)NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is ONIVXPDFRKHFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4/c16-11-2-1-3-12(7-11)17-9-15(22)19-18-8-10-6-13(20(23)24)4-5-14(10)21/h1-8,17,21H,9H2,(H,19,22).
What are the key properties of 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 348.75 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 3695140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).