N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide

C13H13FN2O2S — CID 66385208

IUPACN-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccc(O)c(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-8(17)16-11-4-5-19-13(11)7-15-9-2-3-12(18)10(14)6-9/h2-6,15,18H,7H2,1H3,(H,16,17)
InChIKeyHJDUEWRJPZZANS-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.16
Rot. Bonds4

About N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385208) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66385208
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
SMILESCC(=O)Nc1ccsc1CNc1ccc(O)c(F)c1
InChIInChI=1S/C13H13FN2O2S/c1-8(17)16-11-4-5-19-13(11)7-15-9-2-3-12(18)10(14)6-9/h2-6,15,18H,7H2,1H3,(H,16,17)
InChIKeyHJDUEWRJPZZANS-UHFFFAOYSA-N
XLogP3.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387299
4-[(3-acetamidothiophen-2-yl)methylamino]benzoic acid
CID 66387123
N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384913
N-[2-[(3-propan-2-ylanilino)methyl]thiophen-3-yl]acetamide
CID 66386116
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
3-[(3-acetamidothiophen-2-yl)methylamino]-N-methylbenzamide
CID 66385911
N-[2-[(3-bromo-4-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 82863772
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
CID 107591392
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-[2-[(4-butylanilino)methyl]thiophen-3-yl]acetamide
CID 66387714
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide (CID 66385208) is N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide is CC(=O)Nc1ccsc1CNc1ccc(O)c(F)c1.
What is the InChIKey of N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is HJDUEWRJPZZANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8(17)16-11-4-5-19-13(11)7-15-9-2-3-12(18)10(14)6-9/h2-6,15,18H,7H2,1H3,(H,16,17).
What are the key properties of N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 280.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).