N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide

C16H20FNO — CID 80712461

IUPACN-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C2CC2)C2CC2)c1F
InChIInChI=1S/C16H20FNO/c1-10-3-2-4-13(15(10)17)16(19)18-9-14(11-5-6-11)12-7-8-12/h2-4,11-12,14H,5-9H2,1H3,(H,18,19)
InChIKeyBIPYUPJDDGQIAQ-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.30
Rot. Bonds5

About N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide

N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide (PubChem CID 80712461) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
PubChem CID80712461
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C2CC2)C2CC2)c1F
InChIInChI=1S/C16H20FNO/c1-10-3-2-4-13(15(10)17)16(19)18-9-14(11-5-6-11)12-7-8-12/h2-4,11-12,14H,5-9H2,1H3,(H,18,19)
InChIKeyBIPYUPJDDGQIAQ-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
CID 103865605
3-bromo-N-(2-cyclopropylpropyl)-2-fluorobenzamide
CID 106544356
3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103990086
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-3-methylbenzamide
CID 107158406
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
CID 103853537
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide (CID 80712461) is N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCC(C2CC2)C2CC2)c1F.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide?
The InChIKey is BIPYUPJDDGQIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10-3-2-4-13(15(10)17)16(19)18-9-14(11-5-6-11)12-7-8-12/h2-4,11-12,14H,5-9H2,1H3,(H,18,19).
What are the key properties of N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide?
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide has a molecular weight of 261.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80712461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).