N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide

C9H8BrCl2F2NOS — CID 107966457

IUPACN-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCBr)CC(F)F
InChIInChI=1S/C9H8BrCl2F2NOS/c10-1-2-15(4-7(13)14)9(16)5-3-6(11)17-8(5)12/h3,7H,1-2,4H2
InChIKeyJSGWBGFJVOGHCD-UHFFFAOYSA-N
MW367.04 g/mol
LogP4.16
Rot. Bonds5

About N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide

N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide (PubChem CID 107966457) has the molecular formula C9H8BrCl2F2NOS and a molecular weight of 367.04 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
PubChem CID107966457
Molecular FormulaC9H8BrCl2F2NOS
Molecular Weight367.04 g/mol
Exact Mass364.89
IUPAC NameN-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCBr)CC(F)F
InChIInChI=1S/C9H8BrCl2F2NOS/c10-1-2-15(4-7(13)14)9(16)5-3-6(11)17-8(5)12/h3,7H,1-2,4H2
InChIKeyJSGWBGFJVOGHCD-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide (CID 107966457) is N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide is O=C(c1cc(Cl)sc1Cl)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
The InChIKey is JSGWBGFJVOGHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2F2NOS/c10-1-2-15(4-7(13)14)9(16)5-3-6(11)17-8(5)12/h3,7H,1-2,4H2.
What are the key properties of N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide?
N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide has a molecular weight of 367.04 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,5-dichloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 107966457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).