3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide

C13H16FNO4 — CID 129413929

IUPAC3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@]2(O)CCOC2)cc1F
InChIInChI=1S/C13H16FNO4/c1-18-11-3-2-9(6-10(11)14)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyVDCPODGLBYNVEK-ZDUSSCGKSA-N
MW269.27 g/mol
LogP0.72
Rot. Bonds4

About 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide

3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide (PubChem CID 129413929) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
PubChem CID129413929
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@]2(O)CCOC2)cc1F
InChIInChI=1S/C13H16FNO4/c1-18-11-3-2-9(6-10(11)14)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyVDCPODGLBYNVEK-ZDUSSCGKSA-N
XLogP0.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzamide
CID 103849817
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]prop-2-enamide
CID 103849127
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide (CID 129413929) is 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@]2(O)CCOC2)cc1F.
What is the InChIKey of 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide?
The InChIKey is VDCPODGLBYNVEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-18-11-3-2-9(6-10(11)14)12(16)15-7-13(17)4-5-19-8-13/h2-3,6,17H,4-5,7-8H2,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide?
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide has a molecular weight of 269.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 129413929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).