N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide

C10H12BrFN2O — CID 107599336

IUPACN-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1c(F)cccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-7(15)13-5-6-14-10-8(11)3-2-4-9(10)12/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKeySXUXSABHJICDEL-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide

N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide (PubChem CID 107599336) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
PubChem CID107599336
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC NameN-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
SMILESCC(=O)NCCNc1c(F)cccc1Br
InChIInChI=1S/C10H12BrFN2O/c1-7(15)13-5-6-14-10-8(11)3-2-4-9(10)12/h2-4,14H,5-6H2,1H3,(H,13,15)
InChIKeySXUXSABHJICDEL-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-[2-(4-amino-2,6-difluoroanilino)ethyl]acetamide
CID 61015513
3-(2-bromo-6-fluoroanilino)-2-hydroxy-2-methylpropanoic acid
CID 107599328
2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 113252866
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 107597873
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2-bromo-N-[(Z)-3-chloro-2-methylprop-2-enyl]-6-fluoroaniline
CID 106438200
2-(2-bromo-6-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 103741858
N-[2-(4-bromo-5-fluoro-2-methylanilino)ethyl]acetamide
CID 107530080
2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline
CID 107599377
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide?
The IUPAC name of N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide (CID 107599336) is N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide?
The canonical SMILES for N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide is CC(=O)NCCNc1c(F)cccc1Br.
What is the InChIKey of N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide?
The InChIKey is SXUXSABHJICDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-7(15)13-5-6-14-10-8(11)3-2-4-9(10)12/h2-4,14H,5-6H2,1H3,(H,13,15).
What are the key properties of N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide?
N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide has a molecular weight of 275.12 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide is sourced from PubChem (CID 107599336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).