3-Bromo-2-fluoro-5-propylbenzamide

Name: 3-Bromo-2-fluoro-5-propylbenzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₁BrFNO — CID 58540669

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-bromo-2-fluoro-5-propylbenzamide

SMILESCCCc1cc(Br)c(F)c(C(N)=O)c1

InChIInChI=1S/C10H11BrFNO/c1-2-3-6-4-7(10(13)14)9(12)8(11)5-6/h4-5H,2-3H2,1H3,(H2,13,14)

InChIKeyUSTUSDFHIMCCPS-UHFFFAOYSA-N

MW260.11 g/mol

LogP2.64

Rot. Bonds3

About 3-Bromo-2-fluoro-5-propylbenzamide

3-Bromo-2-fluoro-5-propylbenzamide (PubChem CID 58540669) has the molecular formula C₁₀H₁₁BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5-propylbenzamide.

Molecular Properties

Compound Name	3-Bromo-2-fluoro-5-propylbenzamide
PubChem CID	58540669
Molecular Formula	C₁₀H₁₁BrFNO
Molecular Weight	260.11 g/mol
Exact Mass	259.00
IUPAC Name	3-bromo-2-fluoro-5-propylbenzamide
SMILES	CCCc1cc(Br)c(F)c(C(N)=O)c1
InChI	InChI=1S/C10H11BrFNO/c1-2-3-6-4-7(10(13)14)9(12)8(11)5-6/h4-5H,2-3H2,1H3,(H2,13,14)
InChIKey	USTUSDFHIMCCPS-UHFFFAOYSA-N
XLogP	2.64
TPSA	43.09 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.11
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-Bromo-2-fluoro-5-propylbenzamide?

The IUPAC name of 3-Bromo-2-fluoro-5-propylbenzamide (CID 58540669) is 3-bromo-2-fluoro-5-propylbenzamide.

What is the SMILES notation for 3-Bromo-2-fluoro-5-propylbenzamide?

The canonical SMILES for 3-Bromo-2-fluoro-5-propylbenzamide is CCCc1cc(Br)c(F)c(C(N)=O)c1.

What is the InChIKey of 3-Bromo-2-fluoro-5-propylbenzamide?

The InChIKey is USTUSDFHIMCCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-2-3-6-4-7(10(13)14)9(12)8(11)5-6/h4-5H,2-3H2,1H3,(H2,13,14).

What are the key properties of 3-Bromo-2-fluoro-5-propylbenzamide?

3-Bromo-2-fluoro-5-propylbenzamide has a molecular weight of 260.11 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-Bromo-2-fluoro-5-propylbenzamide is sourced from PubChem (CID 58540669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 58540669 — identifiers, structure, computed properties (public domain)

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