N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide

C17H17BrN2O — CID 126368486

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)N/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O/c1-2-13-3-5-14(6-4-13)11-17(21)20-19-12-15-7-9-16(18)10-8-15/h3-10,12H,2,11H2,1H3,(H,20,21)/b19-12+
InChIKeyLZDNEAZBUKNYFE-XDHOZWIPSA-N
MW345.24 g/mol
LogP3.70
Rot. Bonds5

About N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide

N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide (PubChem CID 126368486) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
PubChem CID126368486
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
SMILESCCc1ccc(CC(=O)N/N=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O/c1-2-13-3-5-14(6-4-13)11-17(21)20-19-12-15-7-9-16(18)10-8-15/h3-10,12H,2,11H2,1H3,(H,20,21)/b19-12+
InChIKeyLZDNEAZBUKNYFE-XDHOZWIPSA-N
XLogP3.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-(4-bromophenyl)-N-[(4-tert-butylphenyl)methylideneamino]acetamide
CID 3426300
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168024
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368592
2-(4-bromophenyl)-N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]acetamide
CID 19061362
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061232
N-[(4-ethylphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929739
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N-[(4-ethylphenyl)methylideneamino]heptanamide
CID 4107938
4-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-bromophenyl)methylideneamino]butanamide
CID 19208191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide (CID 126368486) is N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide is CCc1ccc(CC(=O)N/N=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
The InChIKey is LZDNEAZBUKNYFE-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-2-13-3-5-14(6-4-13)11-17(21)20-19-12-15-7-9-16(18)10-8-15/h3-10,12H,2,11H2,1H3,(H,20,21)/b19-12+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide?
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide has a molecular weight of 345.24 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 126368486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).