N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide

C11H6F3NOS — CID 63372873

IUPACN-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)cc1F)c1cccs1
InChIInChI=1S/C11H6F3NOS/c12-6-4-8(14)9(5-7(6)13)15-11(16)10-2-1-3-17-10/h1-5H,(H,15,16)
InChIKeyJGOYELZLDABVFM-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.42
Rot. Bonds2

About N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide

N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide (PubChem CID 63372873) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
PubChem CID63372873
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC NameN-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)cc1F)c1cccs1
InChIInChI=1S/C11H6F3NOS/c12-6-4-8(14)9(5-7(6)13)15-11(16)10-2-1-3-17-10/h1-5H,(H,15,16)
InChIKeyJGOYELZLDABVFM-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)thiophene-2-carboxamide
CID 122244007
N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 61129962
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 110361789
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 166217861
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
CID 112986746
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[4,5-difluoro-2-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 91634715

Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide (CID 63372873) is N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide is O=C(Nc1cc(F)c(F)cc1F)c1cccs1.
What is the InChIKey of N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
The InChIKey is JGOYELZLDABVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-6-4-8(14)9(5-7(6)13)15-11(16)10-2-1-3-17-10/h1-5H,(H,15,16).
What are the key properties of N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide?
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide has a molecular weight of 257.24 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 63372873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).