2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide

C15H15BrN2O3 — CID 2852290

IUPAC2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2ccccc2Br)o1
InChIInChI=1S/C15H15BrN2O3/c1-10-7-8-12(20-10)9-17-18-15(19)11(2)21-14-6-4-3-5-13(14)16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyOTHDDDDSDADIES-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.27
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide

2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide (PubChem CID 2852290) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
PubChem CID2852290
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
SMILESCc1ccc(C=NNC(=O)C(C)Oc2ccccc2Br)o1
InChIInChI=1S/C15H15BrN2O3/c1-10-7-8-12(20-10)9-17-18-15(19)11(2)21-14-6-4-3-5-13(14)16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyOTHDDDDSDADIES-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.27
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

N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
[4-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 4619205
2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
CID 6266401
2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 4539144
(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 5436558
[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 3977922
2-(2-methylanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 6178020
(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide (CID 2852290) is 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide is Cc1ccc(C=NNC(=O)C(C)Oc2ccccc2Br)o1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide?
The InChIKey is OTHDDDDSDADIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10-7-8-12(20-10)9-17-18-15(19)11(2)21-14-6-4-3-5-13(14)16/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide?
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide has a molecular weight of 351.20 g/mol, XLogP of 3.27, 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-[(5-methylfuran-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 2852290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).