2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide

C18H20BrN3O2 — CID 50854100

IUPAC2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C/c1ccn(C2CCCC2)c1
InChIInChI=1S/C18H20BrN3O2/c19-15-4-3-7-17(10-15)24-13-18(23)21-20-11-14-8-9-22(12-14)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H,21,23)/b20-11+
InChIKeyJOOBAJLBJLPXEA-RGVLZGJSSA-N
MW390.28 g/mol
LogP3.89
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide

2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide (PubChem CID 50854100) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
PubChem CID50854100
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
SMILESO=C(COc1cccc(Br)c1)N/N=C/c1ccn(C2CCCC2)c1
InChIInChI=1S/C18H20BrN3O2/c19-15-4-3-7-17(10-15)24-13-18(23)21-20-11-14-8-9-22(12-14)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H,21,23)/b20-11+
InChIKeyJOOBAJLBJLPXEA-RGVLZGJSSA-N
XLogP3.89
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.89
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-chlorophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide
CID 50854147
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-[3-(dimethylamino)phenoxy]acetamide
CID 50854108
2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
CID 7788343
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]-2-phenylacetamide
CID 50854504
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
N-[(Z)-(1-cyclohexylpyrrol-3-yl)methylideneamino]acetamide
CID 50854394
2-(3-bromophenoxy)-N-[(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 2641940
2-(3-bromophenoxy)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]acetamide
CID 6144474
2-(3-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135533115
2-(3-bromophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5391030

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide (CID 50854100) is 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide is O=C(COc1cccc(Br)c1)N/N=C/c1ccn(C2CCCC2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide?
The InChIKey is JOOBAJLBJLPXEA-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c19-15-4-3-7-17(10-15)24-13-18(23)21-20-11-14-8-9-22(12-14)16-5-1-2-6-16/h3-4,7-12,16H,1-2,5-6,13H2,(H,21,23)/b20-11+.
What are the key properties of 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide has a molecular weight of 390.28 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 50854100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).