N-[(2-bromo-5-fluorophenyl)methyl]acetamide

C9H9BrFNO — CID 59131564

IUPACN-[(2-bromo-5-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C9H9BrFNO/c1-6(13)12-5-7-4-8(11)2-3-9(7)10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyVINUHAFCTCQDRL-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.22
Rot. Bonds2

About N-[(2-bromo-5-fluorophenyl)methyl]acetamide

N-[(2-bromo-5-fluorophenyl)methyl]acetamide (PubChem CID 59131564) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]acetamide
PubChem CID59131564
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C9H9BrFNO/c1-6(13)12-5-7-4-8(11)2-3-9(7)10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyVINUHAFCTCQDRL-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]acetamide (CID 59131564) is N-[(2-bromo-5-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]acetamide is CC(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
The InChIKey is VINUHAFCTCQDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-6(13)12-5-7-4-8(11)2-3-9(7)10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]acetamide?
N-[(2-bromo-5-fluorophenyl)methyl]acetamide has a molecular weight of 246.08 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 59131564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).