2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

C16H22FNO2 — CID 102882104

IUPAC2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2C(C)(C)C2(C)C)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-15(2)13(16(15,3)4)9-18-14(19)11-7-6-10(20-5)8-12(11)17/h6-8,13H,9H2,1-5H3,(H,18,19)
InChIKeyCHIIEZXXADAVOP-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.25
Rot. Bonds4

About 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 102882104) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID102882104
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2C(C)(C)C2(C)C)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-15(2)13(16(15,3)4)9-18-14(19)11-7-6-10(20-5)8-12(11)17/h6-8,13H,9H2,1-5H3,(H,18,19)
InChIKeyCHIIEZXXADAVOP-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 113228962
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-fluoro-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 113222377
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
N-[(3-bromocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106128879
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 102882104) is 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is COc1ccc(C(=O)NCC2C(C)(C)C2(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is CHIIEZXXADAVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-15(2)13(16(15,3)4)9-18-14(19)11-7-6-10(20-5)8-12(11)17/h6-8,13H,9H2,1-5H3,(H,18,19).
What are the key properties of 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide has a molecular weight of 279.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 102882104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).