3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide

C11H14FNO2 — CID 79031074

IUPAC3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CO)cc1F
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyBBAIGDVHKXOZFI-MRVPVSSYSA-N
MW211.24 g/mol
LogP1.24
Rot. Bonds3

About 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide

3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide (PubChem CID 79031074) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
PubChem CID79031074
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C)CO)cc1F
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyBBAIGDVHKXOZFI-MRVPVSSYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 93081126
6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid
CID 65285580
4-fluoro-N-(1-hydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107029570
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
N-(1-amino-4-methylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 63754724
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide (CID 79031074) is 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)CO)cc1F.
What is the InChIKey of 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
The InChIKey is BBAIGDVHKXOZFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)11(15)13-8(2)6-14/h3-5,8,14H,6H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide?
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide has a molecular weight of 211.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 79031074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).