N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide

C15H13BrClN3O — CID 71699769

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C15H13BrClN3O/c16-12-4-1-3-11(7-12)9-19-20-15(21)10-18-14-6-2-5-13(17)8-14/h1-9,18H,10H2,(H,20,21)/b19-9+
InChIKeyMFFPPDBDIUCLSJ-DJKKODMXSA-N
MW366.65 g/mol
LogP3.66
Rot. Bonds5

About N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide (PubChem CID 71699769) has the molecular formula C15H13BrClN3O and a molecular weight of 366.65 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide
PubChem CID71699769
Molecular FormulaC15H13BrClN3O
Molecular Weight366.65 g/mol
Exact Mass364.99
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide
SMILESO=C(CNc1cccc(Cl)c1)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C15H13BrClN3O/c16-12-4-1-3-11(7-12)9-19-20-15(21)10-18-14-6-2-5-13(17)8-14/h1-9,18H,10H2,(H,20,21)/b19-9+
InChIKeyMFFPPDBDIUCLSJ-DJKKODMXSA-N
XLogP3.66
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide (CID 71699769) is N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide is O=C(CNc1cccc(Cl)c1)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide?
The InChIKey is MFFPPDBDIUCLSJ-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13BrClN3O/c16-12-4-1-3-11(7-12)9-19-20-15(21)10-18-14-6-2-5-13(17)8-14/h1-9,18H,10H2,(H,20,21)/b19-9+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide has a molecular weight of 366.65 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-(3-chloroanilino)acetamide is sourced from PubChem (CID 71699769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).