2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide

C14H14BrN3O2 — CID 135775219

IUPAC2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc[nH]1
InChIInChI=1S/C14H14BrN3O2/c1-10(13-6-3-7-16-13)17-18-14(19)9-20-12-5-2-4-11(15)8-12/h2-8,16H,9H2,1H3,(H,18,19)/b17-10+
InChIKeyUSEQTIZVZUGZHA-LICLKQGHSA-N
MW336.19 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide

2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide (PubChem CID 135775219) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
PubChem CID135775219
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc[nH]1
InChIInChI=1S/C14H14BrN3O2/c1-10(13-6-3-7-16-13)17-18-14(19)9-20-12-5-2-4-11(15)8-12/h2-8,16H,9H2,1H3,(H,18,19)/b17-10+
InChIKeyUSEQTIZVZUGZHA-LICLKQGHSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
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

2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(3-bromophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1039793
2-(3-bromophenoxy)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 7937038
2-(3-bromophenoxy)-N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]acetamide
CID 6272149
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
2-[3-[2-oxo-2-(2-propan-2-ylidenehydrazinyl)ethoxy]phenoxy]-N-(propan-2-ylideneamino)acetamide
CID 102030717
2-(3-bromophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9059627
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-(3-bromophenoxy)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 7606350
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
CID 4598925
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide (CID 135775219) is 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc[nH]1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
The InChIKey is USEQTIZVZUGZHA-LICLKQGHSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-10(13-6-3-7-16-13)17-18-14(19)9-20-12-5-2-4-11(15)8-12/h2-8,16H,9H2,1H3,(H,18,19)/b17-10+.
What are the key properties of 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide?
2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide has a molecular weight of 336.19 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 135775219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).