5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C12H15ClFNO2 — CID 79249540

IUPAC5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFNO2/c1-7(2)11(6-16)15-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyYPNFQTATZDLVSW-LLVKDONJSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds4

About 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 79249540) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID79249540
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H15ClFNO2/c1-7(2)11(6-16)15-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyYPNFQTATZDLVSW-LLVKDONJSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032027
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252938
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 61146087
N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-(1-bromo-3-methylbutan-2-yl)-5-chloro-2-methylbenzamide
CID 82891279
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 79249540) is 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CO)NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is YPNFQTATZDLVSW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-7(2)11(6-16)15-12(17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 259.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 79249540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).