2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide

C15H22FNO — CID 1241760

IUPAC2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-14(2,3)10-15(4,5)17-13(18)11-8-6-7-9-12(11)16/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyBPTMRMJVYXUFII-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.77
Rot. Bonds3

About 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide

2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 1241760) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID1241760
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccccc1F
InChIInChI=1S/C15H22FNO/c1-14(2,3)10-15(4,5)17-13(18)11-8-6-7-9-12(11)16/h6-9H,10H2,1-5H3,(H,17,18)
InChIKeyBPTMRMJVYXUFII-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 139405225
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
2-propylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17310545
N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
CID 107868190
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-bromo-N-(1-chloro-2-methylpropan-2-yl)-3-fluorobenzamide
CID 114295348
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 1241760) is 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is BPTMRMJVYXUFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2,3)10-15(4,5)17-13(18)11-8-6-7-9-12(11)16/h6-9H,10H2,1-5H3,(H,17,18).
What are the key properties of 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide?
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 251.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 1241760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).