3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide

C14H13F2NO2S — CID 95366989

IUPAC3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccsc1[C@@H](O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO2S/c1-8-4-5-20-13(8)12(18)7-17-14(19)9-2-3-10(15)11(16)6-9/h2-6,12,18H,7H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyCWHTVPBRBCCCJY-LBPRGKRZSA-N
MW297.33 g/mol
LogP2.80
Rot. Bonds4

About 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide

3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 95366989) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
PubChem CID95366989
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccsc1[C@@H](O)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO2S/c1-8-4-5-20-13(8)12(18)7-17-14(19)9-2-3-10(15)11(16)6-9/h2-6,12,18H,7H2,1H3,(H,17,19)/t12-/m0/s1
InChIKeyCWHTVPBRBCCCJY-LBPRGKRZSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide
CID 90496748
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-nitrobenzamide
CID 90496756
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 160892074
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide (CID 95366989) is 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide is Cc1ccsc1[C@@H](O)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is CWHTVPBRBCCCJY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-8-4-5-20-13(8)12(18)7-17-14(19)9-2-3-10(15)11(16)6-9/h2-6,12,18H,7H2,1H3,(H,17,19)/t12-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 95366989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).