N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide

C18H20FNO — CID 80710438

IUPACN-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
SMILESCCC(C)c1ccccc1NC(=O)c1cccc(C)c1F
InChIInChI=1S/C18H20FNO/c1-4-12(2)14-9-5-6-11-16(14)20-18(21)15-10-7-8-13(3)17(15)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyJEQJDTHYUISOCZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.90
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide

N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 80710438) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID80710438
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
SMILESCCC(C)c1ccccc1NC(=O)c1cccc(C)c1F
InChIInChI=1S/C18H20FNO/c1-4-12(2)14-9-5-6-11-16(14)20-18(21)15-10-7-8-13(3)17(15)19/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyJEQJDTHYUISOCZ-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
CID 97030400
3-amino-N-(2-butan-2-ylphenyl)-2-methylbenzamide
CID 83775668
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-(2-butan-2-ylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497570
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
CID 7936129
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 7765215

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide (CID 80710438) is N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide is CCC(C)c1ccccc1NC(=O)c1cccc(C)c1F.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is JEQJDTHYUISOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-4-12(2)14-9-5-6-11-16(14)20-18(21)15-10-7-8-13(3)17(15)19/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide?
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).