5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide

C12H10ClFN2OS — CID 79614589

IUPAC5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cc(Cl)ccc2F)c1
InChIInChI=1S/C12H10ClFN2OS/c13-8-1-2-10(14)11(4-8)16-5-9-3-7(6-18-9)12(15)17/h1-4,6,16H,5H2,(H2,15,17)
InChIKeyFGBUJHRCZNQUBJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.25
Rot. Bonds4

About 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide

5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide (PubChem CID 79614589) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
PubChem CID79614589
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC Name5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNc2cc(Cl)ccc2F)c1
InChIInChI=1S/C12H10ClFN2OS/c13-8-1-2-10(14)11(4-8)16-5-9-3-7(6-18-9)12(15)17/h1-4,6,16H,5H2,(H2,15,17)
InChIKeyFGBUJHRCZNQUBJ-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-fluoroaniline
CID 43438232
5-[(3-fluoro-4-hydroxyanilino)methyl]thiophene-3-carboxamide
CID 79614134
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
2-[(4-chlorothiophen-2-yl)methylamino]benzamide
CID 165432866
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide (CID 79614589) is 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNc2cc(Cl)ccc2F)c1.
What is the InChIKey of 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide?
The InChIKey is FGBUJHRCZNQUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c13-8-1-2-10(14)11(4-8)16-5-9-3-7(6-18-9)12(15)17/h1-4,6,16H,5H2,(H2,15,17).
What are the key properties of 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide?
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79614589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).