5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide

C19H27FN2O2 — CID 10404663

IUPAC5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
SMILESC=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)ccc1OC
InChIInChI=1S/C19H27FN2O2/c1-3-11-22-12-5-7-16(22)14-21-19(23)17-13-15(6-4-10-20)8-9-18(17)24-2/h3,8-9,13,16H,1,4-7,10-12,14H2,2H3,(H,21,23)/t16-/m0/s1
InChIKeyVPBJNBUDASILSQ-INIZCTEOSA-N
MW334.44 g/mol
LogP2.98
Rot. Bonds9

About 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide

5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 10404663) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
PubChem CID10404663
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide
SMILESC=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)ccc1OC
InChIInChI=1S/C19H27FN2O2/c1-3-11-22-12-5-7-16(22)14-21-19(23)17-13-15(6-4-10-20)8-9-18(17)24-2/h3,8-9,13,16H,1,4-7,10-12,14H2,2H3,(H,21,23)/t16-/m0/s1
InChIKeyVPBJNBUDASILSQ-INIZCTEOSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide (CID 10404663) is 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide is C=CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)ccc1OC.
What is the InChIKey of 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is VPBJNBUDASILSQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-11-22-12-5-7-16(22)14-21-19(23)17-13-15(6-4-10-20)8-9-18(17)24-2/h3,8-9,13,16H,1,4-7,10-12,14H2,2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide?
5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 334.44 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-2-methoxy-N-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 10404663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).