2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide

C12H16FNO2 — CID 103919965

IUPAC2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H16FNO2/c1-3-9(7-15)14-12(16)10-6-8(2)4-5-11(10)13/h4-6,9,15H,3,7H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyCLYBYMLYNIVDKK-SECBINFHSA-N
MW225.26 g/mol
LogP1.63
Rot. Bonds4

About 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide

2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide (PubChem CID 103919965) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
PubChem CID103919965
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C12H16FNO2/c1-3-9(7-15)14-12(16)10-6-8(2)4-5-11(10)13/h4-6,9,15H,3,7H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyCLYBYMLYNIVDKK-SECBINFHSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
2-fluoro-5-methyl-N-pent-1-yn-3-ylbenzamide
CID 103579381
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide (CID 103919965) is 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide is CC[C@H](CO)NC(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
The InChIKey is CLYBYMLYNIVDKK-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-9(7-15)14-12(16)10-6-8(2)4-5-11(10)13/h4-6,9,15H,3,7H2,1-2H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide has a molecular weight of 225.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 103919965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).