2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C11H13ClFNO2 — CID 103920045

IUPAC2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-2-7(6-15)14-11(16)10-8(12)4-3-5-9(10)13/h3-5,7,15H,2,6H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyHOXQFGIBIQLBFF-SSDOTTSWSA-N
MW245.68 g/mol
LogP1.98
Rot. Bonds4

About 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 103920045) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID103920045
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-2-7(6-15)14-11(16)10-8(12)4-3-5-9(10)13/h3-5,7,15H,2,6H2,1H3,(H,14,16)/t7-/m1/s1
InChIKeyHOXQFGIBIQLBFF-SSDOTTSWSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
CID 61119070
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426
2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
CID 82815553
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61247337
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
ethyl (2S,3R)-3-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoate
CID 124854483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 103920045) is 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is HOXQFGIBIQLBFF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-2-7(6-15)14-11(16)10-8(12)4-3-5-9(10)13/h3-5,7,15H,2,6H2,1H3,(H,14,16)/t7-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 245.68 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 103920045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).