2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide

C19H22FNO2S — CID 100720519

IUPAC2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESC[C@@H](O)c1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)s1
InChIInChI=1S/C19H22FNO2S/c1-13(22)16-8-9-17(24-16)19(10-4-5-11-19)12-21-18(23)14-6-2-3-7-15(14)20/h2-3,6-9,13,22H,4-5,10-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyGXJOHFXLLBXOFI-CYBMUJFWSA-N
MW347.46 g/mol
LogP4.18
Rot. Bonds5

About 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide

2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide (PubChem CID 100720519) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
PubChem CID100720519
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
SMILESC[C@@H](O)c1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)s1
InChIInChI=1S/C19H22FNO2S/c1-13(22)16-8-9-17(24-16)19(10-4-5-11-19)12-21-18(23)14-6-2-3-7-15(14)20/h2-3,6-9,13,22H,4-5,10-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyGXJOHFXLLBXOFI-CYBMUJFWSA-N
XLogP4.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]naphthalene-1-carboxamide
CID 121178997
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 100720415
2,4-dichloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179034
2-(2-chloro-6-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121179089
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121178927
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121178967
1-(2-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
CID 121179131
4-(dimethylamino)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121178983
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-phenyloxane-4-carboxamide
CID 121179056
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzamide
CID 121178991
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 91817464
N'-(2,5-difluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]oxamide
CID 121179249

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide (CID 100720519) is 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide is C[C@@H](O)c1ccc(C2(CNC(=O)c3ccccc3F)CCCC2)s1.
What is the InChIKey of 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide?
The InChIKey is GXJOHFXLLBXOFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-13(22)16-8-9-17(24-16)19(10-4-5-11-19)12-21-18(23)14-6-2-3-7-15(14)20/h2-3,6-9,13,22H,4-5,10-12H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide?
2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]benzamide is sourced from PubChem (CID 100720519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).