2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

C19H16FNO2S — CID 73167895

IUPAC2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccccc1F
InChIInChI=1S/C19H16FNO2S/c20-16-9-5-4-8-15(16)19(23)21-12-14-10-11-17(24-14)18(22)13-6-2-1-3-7-13/h1-11,18,22H,12H2,(H,21,23)
InChIKeyNCMABHODSDPPSX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.90
Rot. Bonds5

About 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 73167895) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID73167895
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccccc1F
InChIInChI=1S/C19H16FNO2S/c20-16-9-5-4-8-15(16)19(23)21-12-14-10-11-17(24-14)18(22)13-6-2-1-3-7-13/h1-11,18,22H,12H2,(H,21,23)
InChIKeyNCMABHODSDPPSX-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
4-{(1S)-1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]ethyl}benzoic acid
CID 24952927
4-{(1S)-1-[({2,5-Dimethyl-4-[3-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]ethyl}benzoic Acid
CID 24953625
5-(3-Fluorophenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934328
5-(4-Fluorophenyl)-N-(3-hydroxybenzyl)-N-methylthiophene-2-carboxamide
CID 56934478
5-(2-fluoro-3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 56934479
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl]amino]ethyl]benzoic acid
CID 138670944
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]amino]ethyl]benzoic acid
CID 138670958
4-[(1S)-1-[[2-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]ethyl]benzoic acid
CID 138671622
N-benzhydryl-5-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 46899922
N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
CID 25023803
(R)-N-(1-(3-fluorophenyl)-3-hydroxypropan-2-yl)benzo[b]thiophene-2-carboxamide phosphonate
CID 46883910

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (CID 73167895) is 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is NCMABHODSDPPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-16-9-5-4-8-15(16)19(23)21-12-14-10-11-17(24-14)18(22)13-6-2-1-3-7-13/h1-11,18,22H,12H2,(H,21,23).
What are the key properties of 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 73167895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).