2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

C15H14BrN3O — CID 25237297

IUPAC2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H14BrN3O/c1-11(13-3-2-8-17-10-13)18-19-15(20)9-12-4-6-14(16)7-5-12/h2-8,10H,9H2,1H3,(H,19,20)/b18-11+
InChIKeySGGKYAWMBWMNKB-WOJGMQOQSA-N
MW332.20 g/mol
LogP2.93
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (PubChem CID 25237297) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
PubChem CID25237297
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H14BrN3O/c1-11(13-3-2-8-17-10-13)18-19-15(20)9-12-4-6-14(16)7-5-12/h2-8,10H,9H2,1H3,(H,19,20)/b18-11+
InChIKeySGGKYAWMBWMNKB-WOJGMQOQSA-N
XLogP2.93
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.93
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

2-(4-hydroxyphenyl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 24818553
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
2-(4-bromophenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 9359023
N-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 5393103
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270
ethyl N-(1-pyridin-3-ylethylideneamino)carbamate
CID 4153346
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1185544
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
CID 19061478

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (CID 25237297) is 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The InChIKey is SGGKYAWMBWMNKB-WOJGMQOQSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-11(13-3-2-8-17-10-13)18-19-15(20)9-12-4-6-14(16)7-5-12/h2-8,10H,9H2,1H3,(H,19,20)/b18-11+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide has a molecular weight of 332.20 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is sourced from PubChem (CID 25237297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).