N-acetyl-3-bromo-2-fluorobenzamide

C9H7BrFNO2 — CID 107951843

IUPACN-acetyl-3-bromo-2-fluorobenzamide
SMILESCC(=O)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C9H7BrFNO2/c1-5(13)12-9(14)6-3-2-4-7(10)8(6)11/h2-4H,1H3,(H,12,13,14)
InChIKeyROYDNDDBBGWTSR-UHFFFAOYSA-N
MW260.06 g/mol
LogP1.86
Rot. Bonds1

About N-acetyl-3-bromo-2-fluorobenzamide

N-acetyl-3-bromo-2-fluorobenzamide (PubChem CID 107951843) has the molecular formula C9H7BrFNO2 and a molecular weight of 260.06 g/mol. Its IUPAC name is N-acetyl-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-acetyl-3-bromo-2-fluorobenzamide
PubChem CID107951843
Molecular FormulaC9H7BrFNO2
Molecular Weight260.06 g/mol
Exact Mass258.96
IUPAC NameN-acetyl-3-bromo-2-fluorobenzamide
SMILESCC(=O)NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C9H7BrFNO2/c1-5(13)12-9(14)6-3-2-4-7(10)8(6)11/h2-4H,1H3,(H,12,13,14)
InChIKeyROYDNDDBBGWTSR-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-bromo-2-fluorobenzamide?
The IUPAC name of N-acetyl-3-bromo-2-fluorobenzamide (CID 107951843) is N-acetyl-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-acetyl-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-acetyl-3-bromo-2-fluorobenzamide is CC(=O)NC(=O)c1cccc(Br)c1F.
What is the InChIKey of N-acetyl-3-bromo-2-fluorobenzamide?
The InChIKey is ROYDNDDBBGWTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO2/c1-5(13)12-9(14)6-3-2-4-7(10)8(6)11/h2-4H,1H3,(H,12,13,14).
What are the key properties of N-acetyl-3-bromo-2-fluorobenzamide?
N-acetyl-3-bromo-2-fluorobenzamide has a molecular weight of 260.06 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107951843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).