N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide

C16H15BrN2O — CID 708152

IUPACN-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-12(20)19(2)16-9-7-15(8-10-16)18-11-13-3-5-14(17)6-4-13/h3-11H,1-2H3/b18-11+
InChIKeyRZKNQWSRDKERTF-WOJGMQOQSA-N
MW331.21 g/mol
LogP4.18
Rot. Bonds3

About N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide

N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide (PubChem CID 708152) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide
PubChem CID708152
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC NameN-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-12(20)19(2)16-9-7-15(8-10-16)18-11-13-3-5-14(17)6-4-13/h3-11H,1-2H3/b18-11+
InChIKeyRZKNQWSRDKERTF-WOJGMQOQSA-N
XLogP4.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide 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-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide
CID 932029
N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
CID 913370
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine
CID 525681
methyl 2-[4-[(4-bromophenyl)iminomethyl]phenoxy]acetate
CID 3677124
propyl 4-[(4-bromophenyl)methylideneamino]benzoate
CID 2243695
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
CID 831103
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide (CID 708152) is N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(/N=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide?
The InChIKey is RZKNQWSRDKERTF-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-12(20)19(2)16-9-7-15(8-10-16)18-11-13-3-5-14(17)6-4-13/h3-11H,1-2H3/b18-11+.
What are the key properties of N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide?
N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide has a molecular weight of 331.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 708152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).