N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide

C17H11F3N2OS — CID 112990152

IUPACN-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)cc1)c1cccs1
InChIInChI=1S/C17H11F3N2OS/c18-12-7-8-13(16(20)15(12)19)21-10-3-5-11(6-4-10)22-17(23)14-2-1-9-24-14/h1-9,21H,(H,22,23)
InChIKeyVAPVSIRUZQRHGU-UHFFFAOYSA-N
MW348.35 g/mol
LogP5.16
Rot. Bonds4

About N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide

N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide (PubChem CID 112990152) has the molecular formula C17H11F3N2OS and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
PubChem CID112990152
Molecular FormulaC17H11F3N2OS
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC NameN-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)cc1)c1cccs1
InChIInChI=1S/C17H11F3N2OS/c18-12-7-8-13(16(20)15(12)19)21-10-3-5-11(6-4-10)22-17(23)14-2-1-9-24-14/h1-9,21H,(H,22,23)
InChIKeyVAPVSIRUZQRHGU-UHFFFAOYSA-N
XLogP5.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.35
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
CID 112986746
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
CID 2307498
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
methyl N-[4-(2,3,4-trifluoroanilino)phenyl]carbamate
CID 112990169
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 2379110
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118810
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide (CID 112990152) is N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2ccc(F)c(F)c2F)cc1)c1cccs1.
What is the InChIKey of N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide?
The InChIKey is VAPVSIRUZQRHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2OS/c18-12-7-8-13(16(20)15(12)19)21-10-3-5-11(6-4-10)22-17(23)14-2-1-9-24-14/h1-9,21H,(H,22,23).
What are the key properties of N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide?
N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112990152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).