2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide

C15H15BrN2O2 — CID 19061478

IUPAC2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C)o1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-8-14(20-10)11(2)17-18-15(19)9-12-4-6-13(16)7-5-12/h3-8H,9H2,1-2H3,(H,18,19)/b17-11+
InChIKeyPFHPHDHKYMLWJN-GZTJUZNOSA-N
MW335.20 g/mol
LogP3.43
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide (PubChem CID 19061478) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
PubChem CID19061478
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C)o1
InChIInChI=1S/C15H15BrN2O2/c1-10-3-8-14(20-10)11(2)17-18-15(19)9-12-4-6-13(16)7-5-12/h3-8H,9H2,1-2H3,(H,18,19)/b17-11+
InChIKeyPFHPHDHKYMLWJN-GZTJUZNOSA-N
XLogP3.43
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.43
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-[1-(4-bromophenyl)ethylideneamino]-2-phenylacetamide
CID 780756
N-[(E)-1-(5-bromo-2,4-dihydroxyphenyl)ethylideneamino]-2-(4-bromophenyl)acetamide
CID 135609935
2-(4-bromophenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
CID 25237297
2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
CID 46501340
4-chloro-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 5401165
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
2-(4-bromophenoxy)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5428473
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
2-(4-bromophenyl)-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]acetamide
CID 27524668
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
2-(4-bromophenoxy)-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]acetamide
CID 9359002

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide (CID 19061478) is 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccc(C)o1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
The InChIKey is PFHPHDHKYMLWJN-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-3-8-14(20-10)11(2)17-18-15(19)9-12-4-6-13(16)7-5-12/h3-8H,9H2,1-2H3,(H,18,19)/b17-11+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide has a molecular weight of 335.20 g/mol, XLogP of 3.43, 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-(5-methylfuran-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 19061478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).