4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide

C16H17BrFNOS — CID 55661710

IUPAC4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide
SMILESCC(C)(C)C(NC(=O)c1ccc(Br)cc1F)c1cccs1
InChIInChI=1S/C16H17BrFNOS/c1-16(2,3)14(13-5-4-8-21-13)19-15(20)11-7-6-10(17)9-12(11)18/h4-9,14H,1-3H3,(H,19,20)
InChIKeyFRUXAMFMLSOXQC-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.17
Rot. Bonds3

About 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide

4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide (PubChem CID 55661710) has the molecular formula C16H17BrFNOS and a molecular weight of 370.29 g/mol. Its IUPAC name is 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide
PubChem CID55661710
Molecular FormulaC16H17BrFNOS
Molecular Weight370.29 g/mol
Exact Mass369.02
IUPAC Name4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide
SMILESCC(C)(C)C(NC(=O)c1ccc(Br)cc1F)c1cccs1
InChIInChI=1S/C16H17BrFNOS/c1-16(2,3)14(13-5-4-8-21-13)19-15(20)11-7-6-10(17)9-12(11)18/h4-9,14H,1-3H3,(H,19,20)
InChIKeyFRUXAMFMLSOXQC-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-fluoro-N-(1-thiophen-2-ylpropyl)benzamide
CID 61072638
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-iodo-3-methylbenzamide
CID 55777692
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
CID 54949695
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
4-bromo-2-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide (CID 55661710) is 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide is CC(C)(C)C(NC(=O)c1ccc(Br)cc1F)c1cccs1.
What is the InChIKey of 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide?
The InChIKey is FRUXAMFMLSOXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNOS/c1-16(2,3)14(13-5-4-8-21-13)19-15(20)11-7-6-10(17)9-12(11)18/h4-9,14H,1-3H3,(H,19,20).
What are the key properties of 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide?
4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide has a molecular weight of 370.29 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide is sourced from PubChem (CID 55661710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).