2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide

C15H16BrN3O3 — CID 126008441

IUPAC2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)COc2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrN3O3/c1-19(2)15-8-7-13(22-15)9-17-18-14(20)10-21-12-5-3-11(16)4-6-12/h3-9H,10H2,1-2H3,(H,18,20)/b17-9-
InChIKeyWXFHXAHMWYOSMM-MFOYZWKCSA-N
MW366.22 g/mol
LogP2.64
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide

2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide (PubChem CID 126008441) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
PubChem CID126008441
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)COc2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrN3O3/c1-19(2)15-8-7-13(22-15)9-17-18-14(20)10-21-12-5-3-11(16)4-6-12/h3-9H,10H2,1-2H3,(H,18,20)/b17-9-
InChIKeyWXFHXAHMWYOSMM-MFOYZWKCSA-N
XLogP2.64
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 25251554
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19169667
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
(4S)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874001
N-[(Z)-(5-iodofuran-2-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5441397
2-(4-chlorophenyl)-N-[[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide
CID 91991158
2-(4-bromophenoxy)-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 5417368
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135719912
[4-[[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5050842
2-(4-bromophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1245916

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide (CID 126008441) is 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide is CN(C)c1ccc(/C=N\NC(=O)COc2ccc(Br)cc2)o1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
The InChIKey is WXFHXAHMWYOSMM-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-19(2)15-8-7-13(22-15)9-17-18-14(20)10-21-12-5-3-11(16)4-6-12/h3-9H,10H2,1-2H3,(H,18,20)/b17-9-.
What are the key properties of 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide?
2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide has a molecular weight of 366.22 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(Z)-[5-(dimethylamino)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 126008441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).