N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide

C13H12Cl2N2O2 — CID 2844227

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C13H12Cl2N2O2/c1-7-2-8(3-7)13(19)17-16-6-9-4-10(14)5-11(15)12(9)18/h4-6,8,18H,1-3H2,(H,17,19)
InChIKeyZPULKXKSTGFQJT-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.12
Rot. Bonds3

About N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide (PubChem CID 2844227) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide
PubChem CID2844227
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C13H12Cl2N2O2/c1-7-2-8(3-7)13(19)17-16-6-9-4-10(14)5-11(15)12(9)18/h4-6,8,18H,1-3H2,(H,17,19)
InChIKeyZPULKXKSTGFQJT-UHFFFAOYSA-N
XLogP3.12
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide (CID 2844227) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide is C=C1CC(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
The InChIKey is ZPULKXKSTGFQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-7-2-8(3-7)13(19)17-16-6-9-4-10(14)5-11(15)12(9)18/h4-6,8,18H,1-3H2,(H,17,19).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylidenecyclobutane-1-carboxamide is sourced from PubChem (CID 2844227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).