2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide

C12H16FNO — CID 167606728

IUPAC2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(C)cc(C(C)C)c1F
InChIInChI=1S/C12H16FNO/c1-7(2)9-5-8(3)6-10(11(9)13)12(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyIVZHVOZIOBHVSD-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.62
Rot. Bonds2

About 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide

2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide (PubChem CID 167606728) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide
PubChem CID167606728
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide
SMILESCNC(=O)c1cc(C)cc(C(C)C)c1F
InChIInChI=1S/C12H16FNO/c1-7(2)9-5-8(3)6-10(11(9)13)12(15)14-4/h5-7H,1-4H3,(H,14,15)
InChIKeyIVZHVOZIOBHVSD-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N,5-dimethyl-3-propan-2-ylbenzamide
CID 167606729
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
5-methyl-3-propan-2-ylphthalic acid
CID 121008576
4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
2-ethoxy-3-ethyl-N,5-dimethylbenzamide
CID 138534046
N,3,5-trimethyl-2H-indazole-7-carboxamide
CID 146568188
N,4-dimethyl-2,6-di(propan-2-yl)aniline
CID 154688627
3,5-difluoro-N,2-dimethylbenzamide
CID 67627187
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
2-bromo-1-(2,3-difluoro-5-methylphenyl)ethanone
CID 118838056

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide?
The IUPAC name of 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide (CID 167606728) is 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide.
What is the SMILES notation for 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide?
The canonical SMILES for 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide is CNC(=O)c1cc(C)cc(C(C)C)c1F.
What is the InChIKey of 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide?
The InChIKey is IVZHVOZIOBHVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7(2)9-5-8(3)6-10(11(9)13)12(15)14-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide?
2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide has a molecular weight of 209.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethyl-3-propan-2-ylbenzamide is sourced from PubChem (CID 167606728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).