N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide

C8H8BrF2NOS — CID 103513831

IUPACN-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(F)F
InChIInChI=1S/C8H8BrF2NOS/c1-12(8(13)7(10)11)3-6-2-5(9)4-14-6/h2,4,7H,3H2,1H3
InChIKeyQYIRHXNAUMBNIE-UHFFFAOYSA-N
MW284.12 g/mol
LogP2.73
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide

N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide (PubChem CID 103513831) has the molecular formula C8H8BrF2NOS and a molecular weight of 284.12 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide
PubChem CID103513831
Molecular FormulaC8H8BrF2NOS
Molecular Weight284.12 g/mol
Exact Mass282.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(F)F
InChIInChI=1S/C8H8BrF2NOS/c1-12(8(13)7(10)11)3-6-2-5(9)4-14-6/h2,4,7H,3H2,1H3
InChIKeyQYIRHXNAUMBNIE-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide 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

1-Acetyl-4-[(5-bromo-2-thienyl)methyl]piperazine
CID 743462
(2R)-2-(5-bromothiophen-2-yl)-3-(2-methylsulfanylethyl)-1,3-thiazolidin-4-one
CID 44589356
3-[(4-Bromothiophen-2-yl)methyl-methylamino]propanamide
CID 45826392
N-((4-bromothiophen-2-yl)methyl)-2-chloro-N-methylacetamide
CID 51889861
3-bromo-N,N-diethylthiophene-2-carboxamide
CID 54461600
2-[[2-[(4-Bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364268
2-[[2-[(4-Bromothiophen-2-yl)methylamino]-2-oxoethyl]-methylamino]acetamide
CID 47364291
n-((4-Bromothiophen-2-yl)methyl)-2-methoxy-N-methylacetamide
CID 51082326
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 81489561
N-[(4-bromothiophen-2-yl)methyl]-4-(4-fluorophenyl)sulfanyl-N-methylbutanamide
CID 46235558
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79036747

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide (CID 103513831) is N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide is CN(Cc1cc(Br)cs1)C(=O)C(F)F.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide?
The InChIKey is QYIRHXNAUMBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NOS/c1-12(8(13)7(10)11)3-6-2-5(9)4-14-6/h2,4,7H,3H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide has a molecular weight of 284.12 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 103513831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).