N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

C15H12BrN3O3 — CID 1353406

IUPACN-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O3/c16-13-3-1-2-12(8-13)10-17-18-15(20)9-11-4-6-14(7-5-11)19(21)22/h1-8,10H,9H2,(H,18,20)
InChIKeySYEYUSAMVURHMN-UHFFFAOYSA-N
MW362.18 g/mol
LogP3.05
Rot. Bonds5

About N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 1353406) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID1353406
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC NameN-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(Br)c1
InChIInChI=1S/C15H12BrN3O3/c16-13-3-1-2-12(8-13)10-17-18-15(20)9-11-4-6-14(7-5-11)19(21)22/h1-8,10H,9H2,(H,18,20)
InChIKeySYEYUSAMVURHMN-UHFFFAOYSA-N
XLogP3.05
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide 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

N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135627954
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135589181
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 136844889

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (CID 1353406) is N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is SYEYUSAMVURHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c16-13-3-1-2-12(8-13)10-17-18-15(20)9-11-4-6-14(7-5-11)19(21)22/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 362.18 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 1353406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).