5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide

C13H17ClFNO — CID 61146087

IUPAC5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFNO/c1-8(2)6-9(3)16-13(17)11-7-10(14)4-5-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyFKQOUZYVBPPKQG-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.64
Rot. Bonds4

About 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide

5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide (PubChem CID 61146087) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
PubChem CID61146087
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(C)NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H17ClFNO/c1-8(2)6-9(3)16-13(17)11-7-10(14)4-5-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyFKQOUZYVBPPKQG-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-5-chloro-2-fluorobenzamide
CID 104873078
5-chloro-2-(methylamino)-N-(4-methylpentan-2-yl)benzamide
CID 55047014
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
5-chloro-N-(1-cyanopropan-2-yl)-2-fluorobenzamide
CID 62090270
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
4-chloro-2-fluoro-N-(4-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387595
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide (CID 61146087) is 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide is CC(C)CC(C)NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide?
The InChIKey is FKQOUZYVBPPKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-8(2)6-9(3)16-13(17)11-7-10(14)4-5-12(11)15/h4-5,7-9H,6H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide?
5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide has a molecular weight of 257.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 61146087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).