2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide

C18H24FNO3 — CID 91770918

IUPAC2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1F
InChIInChI=1S/C18H24FNO3/c1-12-3-2-4-14(17(12)19)18(21)20-16-7-10-23-11-15(16)13-5-8-22-9-6-13/h2-4,13,15-16H,5-11H2,1H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyGQDYYCIQEIPJKC-HOTGVXAUSA-N
MW321.39 g/mol
LogP2.70
Rot. Bonds3

About 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide

2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide (PubChem CID 91770918) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
PubChem CID91770918
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1F
InChIInChI=1S/C18H24FNO3/c1-12-3-2-4-14(17(12)19)18(21)20-16-7-10-23-11-15(16)13-5-8-22-9-6-13/h2-4,13,15-16H,5-11H2,1H3,(H,20,21)/t15-,16-/m0/s1
InChIKeyGQDYYCIQEIPJKC-HOTGVXAUSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide (CID 91770918) is 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide is Cc1cccc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The InChIKey is GQDYYCIQEIPJKC-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-12-3-2-4-14(17(12)19)18(21)20-16-7-10-23-11-15(16)13-5-8-22-9-6-13/h2-4,13,15-16H,5-11H2,1H3,(H,20,21)/t15-,16-/m0/s1.
What are the key properties of 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide?
2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide has a molecular weight of 321.39 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 91770918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).