N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide

C16H15BrFN3O — CID 3461885

IUPACN-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCC(=NNC(=O)CNc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFN3O/c1-11(12-2-4-13(17)5-3-12)20-21-16(22)10-19-15-8-6-14(18)7-9-15/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyBMKUIHFONJNOCJ-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide

N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 3461885) has the molecular formula C16H15BrFN3O and a molecular weight of 364.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID3461885
Molecular FormulaC16H15BrFN3O
Molecular Weight364.22 g/mol
Exact Mass363.04
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCC(=NNC(=O)CNc1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFN3O/c1-11(12-2-4-13(17)5-3-12)20-21-16(22)10-19-15-8-6-14(18)7-9-15/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyBMKUIHFONJNOCJ-UHFFFAOYSA-N
XLogP3.54
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.54
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

N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416891
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
2-(2-bromo-4-chloroanilino)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 4037059
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-nitroacetamide
CID 51342256
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide
CID 6025913
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide (CID 3461885) is N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide is CC(=NNC(=O)CNc1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is BMKUIHFONJNOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O/c1-11(12-2-4-13(17)5-3-12)20-21-16(22)10-19-15-8-6-14(18)7-9-15/h2-9,19H,10H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide?
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 364.22 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 3461885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).