3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide

C12H14FNO3 — CID 86780875

IUPAC3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCOC2)cc1F
InChIInChI=1S/C12H14FNO3/c1-16-11-3-2-8(6-10(11)13)12(15)14-9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)
InChIKeyYWDPQRBWCHNUNY-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.35
Rot. Bonds3

About 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide

3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide (PubChem CID 86780875) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
PubChem CID86780875
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCOC2)cc1F
InChIInChI=1S/C12H14FNO3/c1-16-11-3-2-8(6-10(11)13)12(15)14-9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,14,15)
InChIKeyYWDPQRBWCHNUNY-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
3-fluoro-2-methoxy-5-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80716247
4-(3-aminopropoxy)-3,5-dimethoxy-N-[(3R)-oxolan-3-yl]benzamide
CID 125164781
3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101493
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
CID 166082493
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 175819039
4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 126447092
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(oxolan-3-yl)benzamide
CID 80712752

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide (CID 86780875) is 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide is COc1ccc(C(=O)NC2CCOC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide?
The InChIKey is YWDPQRBWCHNUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-16-11-3-2-8(6-10(11)13)12(15)14-9-4-5-17-7-9/h2-3,6,9H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide?
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 86780875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).