N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide

C19H19BrN2O2 — CID 172928894

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide
SMILESCc1ccc(CC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C19H19BrN2O2/c1-14-5-7-15(8-6-14)12-18(23)9-10-19(24)22-21-13-16-3-2-4-17(20)11-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,24)/b21-13+
InChIKeyOBNWHCVWEQIKKU-FYJGNVAPSA-N
MW387.28 g/mol
LogP3.80
Rot. Bonds7

About N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide

N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide (PubChem CID 172928894) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide
PubChem CID172928894
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide
SMILESCc1ccc(CC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1
InChIInChI=1S/C19H19BrN2O2/c1-14-5-7-15(8-6-14)12-18(23)9-10-19(24)22-21-13-16-3-2-4-17(20)11-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,24)/b21-13+
InChIKeyOBNWHCVWEQIKKU-FYJGNVAPSA-N
XLogP3.80
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
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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Related Compounds

N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 5041906
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2,6-dimethylanilino)acetamide
CID 6078696
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide (CID 172928894) is N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide is Cc1ccc(CC(=O)CCC(=O)N/N=C/c2cccc(Br)c2)cc1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide?
The InChIKey is OBNWHCVWEQIKKU-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-14-5-7-15(8-6-14)12-18(23)9-10-19(24)22-21-13-16-3-2-4-17(20)11-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide?
N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide has a molecular weight of 387.28 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-5-(4-methylphenyl)-4-oxopentanamide is sourced from PubChem (CID 172928894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).