2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide

C14H20FNO — CID 115605934

IUPAC2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H20FNO/c1-5-8-14(3,4)16-13(17)11-9-10(2)6-7-12(11)15/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyJDEVZLAKQJZPIZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.44
Rot. Bonds4

About 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide

2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide (PubChem CID 115605934) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
PubChem CID115605934
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H20FNO/c1-5-8-14(3,4)16-13(17)11-9-10(2)6-7-12(11)15/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyJDEVZLAKQJZPIZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(2-methylpentan-2-yl)-5-nitrobenzamide
CID 52804730
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
CID 103764879
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
2-fluoro-N-(2-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107019385
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
4-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62044588

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide (CID 115605934) is 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide is CCCC(C)(C)NC(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide?
The InChIKey is JDEVZLAKQJZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-8-14(3,4)16-13(17)11-9-10(2)6-7-12(11)15/h6-7,9H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide?
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide has a molecular weight of 237.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide is sourced from PubChem (CID 115605934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).