4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide

C14H13BrFNOS — CID 61072638

IUPAC4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(Br)cc1F)c1cccs1
InChIInChI=1S/C14H13BrFNOS/c1-2-12(13-4-3-7-19-13)17-14(18)10-6-5-9(15)8-11(10)16/h3-8,12H,2H2,1H3,(H,17,18)
InChIKeyWZFIRXBKDPLZJA-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.53
Rot. Bonds4

About 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide

4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide (PubChem CID 61072638) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
PubChem CID61072638
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(Br)cc1F)c1cccs1
InChIInChI=1S/C14H13BrFNOS/c1-2-12(13-4-3-7-19-13)17-14(18)10-6-5-9(15)8-11(10)16/h3-8,12H,2H2,1H3,(H,17,18)
InChIKeyWZFIRXBKDPLZJA-UHFFFAOYSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide
CID 55661710
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
CID 54949695
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
2-bromo-5-fluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 61381188
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
CID 62513846
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide (CID 61072638) is 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide is CCC(NC(=O)c1ccc(Br)cc1F)c1cccs1.
What is the InChIKey of 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide?
The InChIKey is WZFIRXBKDPLZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-2-12(13-4-3-7-19-13)17-14(18)10-6-5-9(15)8-11(10)16/h3-8,12H,2H2,1H3,(H,17,18).
What are the key properties of 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide?
4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide has a molecular weight of 342.23 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 61072638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).