3-bromo-2-fluoro-5-propylbenzamide

C10H11BrFNO — CID 58540669

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 Name3-bromo-2-fluoro-5-propylbenzamide
PubChem CID58540669
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name3-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
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867
2-hydroxy-3,5-dipropylbenzamide
CID 3031784
2-fluoro-4-propylbenzamide
CID 175786906
2-bromo-6-fluoro-4-propylphenol
CID 69428563
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
3-bromo-2-propylbenzamide
CID 69458474
2-bromo-5-butylpyridine-3-carboxamide
CID 173465828
4-(3-bromo-5-ethyl-4-fluorophenyl)butanoic acid
CID 117466926
3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
CID 117404097
3-(3-bromo-4-fluoro-5-methylphenyl)propanoic acid
CID 84710392
3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
CID 163632738

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).