N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide

C14H20FNO — CID 115622752

IUPACN-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)C(C)(C)C)ccc1F
InChIInChI=1S/C14H20FNO/c1-9-8-11(6-7-12(9)15)13(17)16-10(2)14(3,4)5/h6-8,10H,1-5H3,(H,16,17)
InChIKeyVDJFNYVBHUUWKP-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.30
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide

N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide (PubChem CID 115622752) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
PubChem CID115622752
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)C(C)(C)C)ccc1F
InChIInChI=1S/C14H20FNO/c1-9-8-11(6-7-12(9)15)13(17)16-10(2)14(3,4)5/h6-8,10H,1-5H3,(H,16,17)
InChIKeyVDJFNYVBHUUWKP-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(4-fluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 55163831
2-[(4-fluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 63209855
2-[(4-fluoro-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 63210063
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
N-(1-amino-4-methylpentan-3-yl)-4-fluoro-3-methylbenzamide
CID 106356719
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
N-(4-bromobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 83178455
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-fluoro-3-methylbenzamide
CID 55163659
N-(3,3-dimethylbutan-2-yl)-3-fluoro-4-nitrobenzamide
CID 113235175
N-(4-amino-4-oxobutan-2-yl)-4-fluoro-3-methylbenzamide
CID 115649751
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
N-(3,3-dimethylbutan-2-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 104829894

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide (CID 115622752) is N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)NC(C)C(C)(C)C)ccc1F.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide?
The InChIKey is VDJFNYVBHUUWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-8-11(6-7-12(9)15)13(17)16-10(2)14(3,4)5/h6-8,10H,1-5H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide?
N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide has a molecular weight of 237.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 115622752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).