N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide

C17H13FN2OS — CID 112986746

IUPACN-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2F)cc1)c1cccs1
InChIInChI=1S/C17H13FN2OS/c18-14-4-1-2-5-15(14)19-12-7-9-13(10-8-12)20-17(21)16-6-3-11-22-16/h1-11,19H,(H,20,21)
InChIKeyXYGRQISDNVYBRM-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.88
Rot. Bonds4

About N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide

N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide (PubChem CID 112986746) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
PubChem CID112986746
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC NameN-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2F)cc1)c1cccs1
InChIInChI=1S/C17H13FN2OS/c18-14-4-1-2-5-15(14)19-12-7-9-13(10-8-12)20-17(21)16-6-3-11-22-16/h1-11,19H,(H,20,21)
InChIKeyXYGRQISDNVYBRM-UHFFFAOYSA-N
XLogP4.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
CID 112990152
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[(2-anilinophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9154188
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
CID 2307498
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4165688

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide (CID 112986746) is N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Nc2ccccc2F)cc1)c1cccs1.
What is the InChIKey of N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide?
The InChIKey is XYGRQISDNVYBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-14-4-1-2-5-15(14)19-12-7-9-13(10-8-12)20-17(21)16-6-3-11-22-16/h1-11,19H,(H,20,21).
What are the key properties of N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide?
N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 112986746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).