N-butan-2-yl-2-chloro-5-fluorobenzamide

C11H13ClFNO — CID 129166839

IUPACN-butan-2-yl-2-chloro-5-fluorobenzamide
SMILESCCC(C)NC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c1-3-7(2)14-11(15)9-6-8(13)4-5-10(9)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyWORHKLFKHZCSNR-UHFFFAOYSA-N
MW229.68 g/mol
LogP3.01
Rot. Bonds3

About N-butan-2-yl-2-chloro-5-fluorobenzamide

N-butan-2-yl-2-chloro-5-fluorobenzamide (PubChem CID 129166839) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-5-fluorobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-5-fluorobenzamide
PubChem CID129166839
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC NameN-butan-2-yl-2-chloro-5-fluorobenzamide
SMILESCCC(C)NC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c1-3-7(2)14-11(15)9-6-8(13)4-5-10(9)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyWORHKLFKHZCSNR-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
2-chloro-N-[(1S)-1-cyanoethyl]-5-fluorobenzamide
CID 126769274
N-[(2R)-butan-2-yl]-2-chloro-5-nitrobenzamide
CID 40537964
N-butan-2-yl-2-diazenyl-5-fluorobenzamide
CID 121220031
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-5-fluorobenzamide?
The IUPAC name of N-butan-2-yl-2-chloro-5-fluorobenzamide (CID 129166839) is N-butan-2-yl-2-chloro-5-fluorobenzamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-5-fluorobenzamide?
The canonical SMILES for N-butan-2-yl-2-chloro-5-fluorobenzamide is CCC(C)NC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-butan-2-yl-2-chloro-5-fluorobenzamide?
The InChIKey is WORHKLFKHZCSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-3-7(2)14-11(15)9-6-8(13)4-5-10(9)12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-2-chloro-5-fluorobenzamide?
N-butan-2-yl-2-chloro-5-fluorobenzamide has a molecular weight of 229.68 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-5-fluorobenzamide is sourced from PubChem (CID 129166839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).