N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide

C13H12FNO2S — CID 111566262

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C13H12FNO2S/c14-11-4-2-1-3-10(11)12(16)7-15-13(17)9-5-6-18-8-9/h1-6,8,12,16H,7H2,(H,15,17)
InChIKeyHNRUHFZDMPFGCH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide (PubChem CID 111566262) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
PubChem CID111566262
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C13H12FNO2S/c14-11-4-2-1-3-10(11)12(16)7-15-13(17)9-5-6-18-8-9/h1-6,8,12,16H,7H2,(H,15,17)
InChIKeyHNRUHFZDMPFGCH-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 46590732
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
CID 97416773
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111565882
4-(ethylsulfanylmethyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565953
2-anilino-N-[2-(2-fluorophenyl)-2-hydroxyethyl]pyrimidine-5-carboxamide
CID 74237551
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide (CID 111566262) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide is O=C(NCC(O)c1ccccc1F)c1ccsc1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide?
The InChIKey is HNRUHFZDMPFGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-11-4-2-1-3-10(11)12(16)7-15-13(17)9-5-6-18-8-9/h1-6,8,12,16H,7H2,(H,15,17).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide is sourced from PubChem (CID 111566262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).