3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C11H14FNO2 — CID 40538169

IUPAC3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyORBGMYDMGANEHS-SNVBAGLBSA-N
MW211.24 g/mol
LogP1.33
Rot. Bonds4

About 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 40538169) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID40538169
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyORBGMYDMGANEHS-SNVBAGLBSA-N
XLogP1.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[[2-amino-5-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]phenyl]-(3-fluorophenyl)methylidene]azanium
CID 142179020
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 40538169) is 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is ORBGMYDMGANEHS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-10(7-14)13-11(15)8-4-3-5-9(12)6-8/h3-6,10,14H,2,7H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of 3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 211.24 g/mol, XLogP of 1.33, 4 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-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 40538169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).