N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide

C13H11ClFNO2S — CID 94310935

IUPACN-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
SMILESO=C(NC[C@H](O)c1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO2S/c14-12-6-5-11(19-12)10(17)7-16-13(18)8-1-3-9(15)4-2-8/h1-6,10,17H,7H2,(H,16,18)/t10-/m0/s1
InChIKeyQBLQOASGKSJFFP-JTQLQIEISA-N
MW299.75 g/mol
LogP3.00
Rot. Bonds4

About N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide

N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide (PubChem CID 94310935) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
PubChem CID94310935
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC NameN-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
SMILESO=C(NC[C@H](O)c1ccc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C13H11ClFNO2S/c14-12-6-5-11(19-12)10(17)7-16-13(18)8-1-3-9(15)4-2-8/h1-6,10,17H,7H2,(H,16,18)/t10-/m0/s1
InChIKeyQBLQOASGKSJFFP-JTQLQIEISA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95988579
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 71989480
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 71989468
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111486696
(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 95988289
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 38535028
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]oxane-4-carboxamide
CID 95988654
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 71989458
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide?
The IUPAC name of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide (CID 94310935) is N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide is O=C(NC[C@H](O)c1ccc(Cl)s1)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide?
The InChIKey is QBLQOASGKSJFFP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c14-12-6-5-11(19-12)10(17)7-16-13(18)8-1-3-9(15)4-2-8/h1-6,10,17H,7H2,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide?
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide has a molecular weight of 299.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide is sourced from PubChem (CID 94310935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).