3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide

C12H15F2NO2 — CID 97350116

IUPAC3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
SMILESC[C@H](C[C@@H](C)O)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-7(3-8(2)16)15-12(17)9-4-10(13)6-11(14)5-9/h4-8,16H,3H2,1-2H3,(H,15,17)/t7-,8-/m1/s1
InChIKeyBQVUTZLNKCSKIU-HTQZYQBOSA-N
MW243.25 g/mol
LogP1.85
Rot. Bonds4

About 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide

3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide (PubChem CID 97350116) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
PubChem CID97350116
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
SMILESC[C@H](C[C@@H](C)O)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO2/c1-7(3-8(2)16)15-12(17)9-4-10(13)6-11(14)5-9/h4-8,16H,3H2,1-2H3,(H,15,17)/t7-,8-/m1/s1
InChIKeyBQVUTZLNKCSKIU-HTQZYQBOSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
CID 162064632
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
2,5-difluoro-N-(4-hydroxypentan-2-yl)-3-nitrobenzamide
CID 107122263
N-(1-amino-3-methylbutan-2-yl)-3,5-difluorobenzamide
CID 65191559
4-ethyl-N-(4-hydroxypentan-2-yl)benzamide
CID 113376576
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83183642

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide (CID 97350116) is 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide is C[C@H](C[C@@H](C)O)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide?
The InChIKey is BQVUTZLNKCSKIU-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-7(3-8(2)16)15-12(17)9-4-10(13)6-11(14)5-9/h4-8,16H,3H2,1-2H3,(H,15,17)/t7-,8-/m1/s1.
What are the key properties of 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide?
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide has a molecular weight of 243.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide is sourced from PubChem (CID 97350116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).