2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide

C15H16BrN3O2 — CID 50855525

IUPAC2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)n1C
InChIInChI=1S/C15H16BrN3O2/c1-11-6-7-13(19(11)2)9-17-18-15(20)10-21-14-5-3-4-12(16)8-14/h3-9H,10H2,1-2H3,(H,18,20)/b17-9-
InChIKeyLTSFYDNYYDRNOX-MFOYZWKCSA-N
MW350.22 g/mol
LogP2.63
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide

2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 50855525) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID50855525
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)n1C
InChIInChI=1S/C15H16BrN3O2/c1-11-6-7-13(19(11)2)9-17-18-15(20)10-21-14-5-3-4-12(16)8-14/h3-9H,10H2,1-2H3,(H,18,20)/b17-9-
InChIKeyLTSFYDNYYDRNOX-MFOYZWKCSA-N
XLogP2.63
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-bromophenoxy)-N-[(Z)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374448
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50855546
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 598847
2-(3-bromophenoxy)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]acetamide
CID 6144474
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
2-(3-bromophenoxy)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 7738182
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
2-(3-bromophenoxy)-N-[(E)-(2,3-dibromo-4,5-dihydroxyphenyl)methylideneamino]acetamide
CID 135715886

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide (CID 50855525) is 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)n1C.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is LTSFYDNYYDRNOX-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-11-6-7-13(19(11)2)9-17-18-15(20)10-21-14-5-3-4-12(16)8-14/h3-9H,10H2,1-2H3,(H,18,20)/b17-9-.
What are the key properties of 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 350.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 50855525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).