N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide

C13H10ClF2NOS — CID 139604579

IUPACN-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cccc(C(F)(F)Cl)c1
InChIInChI=1S/C13H10ClF2NOS/c14-13(15,16)10-2-1-3-11(7-10)17-12(18)6-9-4-5-19-8-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeyJTTJQABQLAJZLZ-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.22
Rot. Bonds4

About N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide

N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide (PubChem CID 139604579) has the molecular formula C13H10ClF2NOS and a molecular weight of 301.75 g/mol. Its IUPAC name is N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
PubChem CID139604579
Molecular FormulaC13H10ClF2NOS
Molecular Weight301.75 g/mol
Exact Mass301.01
IUPAC NameN-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cccc(C(F)(F)Cl)c1
InChIInChI=1S/C13H10ClF2NOS/c14-13(15,16)10-2-1-3-11(7-10)17-12(18)6-9-4-5-19-8-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeyJTTJQABQLAJZLZ-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 28778986
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
CID 60803359
N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540035
N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
CID 64792905
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 25476161
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
CID 2486757
N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 139604604
N-(2-amino-6-fluorophenyl)-2-thiophen-3-ylacetamide
CID 81314024

Frequently Asked Questions

What is the IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide (CID 139604579) is N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1cccc(C(F)(F)Cl)c1.
What is the InChIKey of N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is JTTJQABQLAJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NOS/c14-13(15,16)10-2-1-3-11(7-10)17-12(18)6-9-4-5-19-8-9/h1-5,7-8H,6H2,(H,17,18).
What are the key properties of N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide?
N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 301.75 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 139604579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).