2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide

C14H14BrN3O2 — CID 5398283

IUPAC2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCn1cccc1/C=N\NC(=O)COc1ccccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-18-8-4-5-11(18)9-16-17-14(19)10-20-13-7-3-2-6-12(13)15/h2-9H,10H2,1H3,(H,17,19)/b16-9-
InChIKeyICRDFFIFKFBNEW-SXGWCWSVSA-N
MW336.19 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide

2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 5398283) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID5398283
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCn1cccc1/C=N\NC(=O)COc1ccccc1Br
InChIInChI=1S/C14H14BrN3O2/c1-18-8-4-5-11(18)9-16-17-14(19)10-20-13-7-3-2-6-12(13)15/h2-9H,10H2,1H3,(H,17,19)/b16-9-
InChIKeyICRDFFIFKFBNEW-SXGWCWSVSA-N
XLogP2.32
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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

2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
2-(4-cyanophenoxy)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 42995448
N-[(4-bromo-5-methylthiophen-2-yl)methylideneamino]-2-(2-bromophenoxy)acetamide
CID 1271118
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
CID 45123007
2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide
CID 4137829
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
N-[(2-bromophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 2695035
2-(2-bromophenoxy)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 56663382
[4-[(Z)-[[2-(2-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 6129506

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (CID 5398283) is 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is Cn1cccc1/C=N\NC(=O)COc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is ICRDFFIFKFBNEW-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-18-8-4-5-11(18)9-16-17-14(19)10-20-13-7-3-2-6-12(13)15/h2-9H,10H2,1H3,(H,17,19)/b16-9-.
What are the key properties of 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 336.19 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5398283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).