4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide

C15H12BrF2N3O2 — CID 9070685

IUPAC4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(F)F)cc1
InChIInChI=1S/C15H12BrF2N3O2/c16-11-3-6-13(23-15(17)18)10(7-11)8-20-21-14(22)9-1-4-12(19)5-2-9/h1-8,15H,19H2,(H,21,22)/b20-8-
InChIKeyNZRHLACFSLUKRH-ZBKNUEDVSA-N
MW384.18 g/mol
LogP3.40
Rot. Bonds5

About 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide

4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide (PubChem CID 9070685) has the molecular formula C15H12BrF2N3O2 and a molecular weight of 384.18 g/mol. Its IUPAC name is 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
PubChem CID9070685
Molecular FormulaC15H12BrF2N3O2
Molecular Weight384.18 g/mol
Exact Mass383.01
IUPAC Name4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(F)F)cc1
InChIInChI=1S/C15H12BrF2N3O2/c16-11-3-6-13(23-15(17)18)10(7-11)8-20-21-14(22)9-1-4-12(19)5-2-9/h1-8,15H,19H2,(H,21,22)/b20-8-
InChIKeyNZRHLACFSLUKRH-ZBKNUEDVSA-N
XLogP3.40
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
CID 142499229
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9070784
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
[2-[(Z)-(benzoylhydrazinylidene)methyl]-4-bromophenyl] benzoate
CID 6146613
[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
CID 168534079
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
[4-bromo-2-[[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3534843
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
CID 3325601
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide (CID 9070685) is 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(F)F)cc1.
What is the InChIKey of 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is NZRHLACFSLUKRH-ZBKNUEDVSA-N. The full InChI is InChI=1S/C15H12BrF2N3O2/c16-11-3-6-13(23-15(17)18)10(7-11)8-20-21-14(22)9-1-4-12(19)5-2-9/h1-8,15H,19H2,(H,21,22)/b20-8-.
What are the key properties of 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide?
4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 384.18 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 9070685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).