3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide

C19H13FN2O2S — CID 164632017

IUPAC3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide
SMILESN#Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](O)c3cccs3)cc2)c1
InChIInChI=1S/C19H13FN2O2S/c20-15-9-12(11-21)8-14(10-15)19(24)22-16-5-3-13(4-6-16)18(23)17-2-1-7-25-17/h1-10,18,23H,(H,22,24)/t18-/m1/s1
InChIKeyJXIGWXULHTVYCT-GOSISDBHSA-N
MW352.39 g/mol
LogP4.09
Rot. Bonds4

About 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide

3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide (PubChem CID 164632017) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide
PubChem CID164632017
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide
SMILESN#Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](O)c3cccs3)cc2)c1
InChIInChI=1S/C19H13FN2O2S/c20-15-9-12(11-21)8-14(10-15)19(24)22-16-5-3-13(4-6-16)18(23)17-2-1-7-25-17/h1-10,18,23H,(H,22,24)/t18-/m1/s1
InChIKeyJXIGWXULHTVYCT-GOSISDBHSA-N
XLogP4.09
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide (CID 164632017) is 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide is N#Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](O)c3cccs3)cc2)c1.
What is the InChIKey of 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide?
The InChIKey is JXIGWXULHTVYCT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-15-9-12(11-21)8-14(10-15)19(24)22-16-5-3-13(4-6-16)18(23)17-2-1-7-25-17/h1-10,18,23H,(H,22,24)/t18-/m1/s1.
What are the key properties of 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide?
3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide has a molecular weight of 352.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-[4-[(R)-hydroxy(thiophen-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 164632017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).