2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide

C16H14BrFN2O2 — CID 4539144

IUPAC2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NN=Cc1cccc(F)c1
InChIInChI=1S/C16H14BrFN2O2/c1-11(22-15-8-3-2-7-14(15)17)16(21)20-19-10-12-5-4-6-13(18)9-12/h2-11H,1H3,(H,20,21)
InChIKeyMDHVVNYVILULEH-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.51
Rot. Bonds5

About 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide

2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide (PubChem CID 4539144) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
PubChem CID4539144
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Name2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
SMILESCC(Oc1ccccc1Br)C(=O)NN=Cc1cccc(F)c1
InChIInChI=1S/C16H14BrFN2O2/c1-11(22-15-8-3-2-7-14(15)17)16(21)20-19-10-12-5-4-6-13(18)9-12/h2-11H,1H3,(H,20,21)
InChIKeyMDHVVNYVILULEH-UHFFFAOYSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.51
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-[(2,5-difluorophenyl)methylideneamino]propanamide
CID 3999391
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
(2S)-2-(4-cyanophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide
CID 129421420
2-(2-bromophenoxy)-N-[(2-propoxyphenyl)methylideneamino]propanamide
CID 3406377
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
2-(2-bromophenoxy)-N-[(2-chloroquinolin-3-yl)methylideneamino]propanamide
CID 4145231
[4-[[2-(2-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 4619205
(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-bromo-4-methylphenoxy)propanamide
CID 19170550
(2S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 7039261

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide (CID 4539144) is 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide is CC(Oc1ccccc1Br)C(=O)NN=Cc1cccc(F)c1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide?
The InChIKey is MDHVVNYVILULEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-11(22-15-8-3-2-7-14(15)17)16(21)20-19-10-12-5-4-6-13(18)9-12/h2-11H,1H3,(H,20,21).
What are the key properties of 2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide?
2-(2-bromophenoxy)-N-[(3-fluorophenyl)methylideneamino]propanamide has a molecular weight of 365.20 g/mol, XLogP of 3.51, 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-[(3-fluorophenyl)methylideneamino]propanamide is sourced from PubChem (CID 4539144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).