2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide

C16H13BrF2N2O2 — CID 3999391

IUPAC2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NN=Cc1cc(F)ccc1F
InChIInChI=1S/C16H13BrF2N2O2/c1-10(23-15-5-3-2-4-13(15)17)16(22)21-20-9-11-8-12(18)6-7-14(11)19/h2-10H,1H3,(H,21,22)
InChIKeyFDIDTRREEDQZQF-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.64
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide

2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide (PubChem CID 3999391) has the molecular formula C16H13BrF2N2O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
PubChem CID3999391
Molecular FormulaC16H13BrF2N2O2
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Name2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NN=Cc1cc(F)ccc1F
InChIInChI=1S/C16H13BrF2N2O2/c1-10(23-15-5-3-2-4-13(15)17)16(22)21-20-9-11-8-12(18)6-7-14(11)19/h2-10H,1H3,(H,21,22)
InChIKeyFDIDTRREEDQZQF-UHFFFAOYSA-N
XLogP3.64
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
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-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 4539144
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231
[2-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 3977922
(2S)-2-(2-bromophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]propanamide
CID 1219362
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7707079
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
2-(2,4-dichlorophenoxy)-N-[(2,3-difluorophenyl)methylideneamino]propanamide
CID 4924893
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
2-(2-bromo-4-methylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]propanamide
CID 19170531

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide (CID 3999391) is 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide is CC(Oc1ccccc1Br)C(=O)NN=Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide?
The InChIKey is FDIDTRREEDQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O2/c1-10(23-15-5-3-2-4-13(15)17)16(22)21-20-9-11-8-12(18)6-7-14(11)19/h2-10H,1H3,(H,21,22).
What are the key properties of 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide?
2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide has a molecular weight of 383.19 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(2,5-difluorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 3999391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).