3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide

C20H23FN2O2 — CID 126450624

IUPAC3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
SMILESO=C(NCCCC[C@H]1CCCO1)c1cccc(-c2ncccc2F)c1
InChIInChI=1S/C20H23FN2O2/c21-18-10-4-12-22-19(18)15-6-3-7-16(14-15)20(24)23-11-2-1-8-17-9-5-13-25-17/h3-4,6-7,10,12,14,17H,1-2,5,8-9,11,13H2,(H,23,24)/t17-/m0/s1
InChIKeySPNIKYULFVUWLK-KRWDZBQOSA-N
MW342.41 g/mol
LogP3.97
Rot. Bonds7

About 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide

3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide (PubChem CID 126450624) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
PubChem CID126450624
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
SMILESO=C(NCCCC[C@H]1CCCO1)c1cccc(-c2ncccc2F)c1
InChIInChI=1S/C20H23FN2O2/c21-18-10-4-12-22-19(18)15-6-3-7-16(14-15)20(24)23-11-2-1-8-17-9-5-13-25-17/h3-4,6-7,10,12,14,17H,1-2,5,8-9,11,13H2,(H,23,24)/t17-/m0/s1
InChIKeySPNIKYULFVUWLK-KRWDZBQOSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118788734
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126424383
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide
CID 135119031
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231
N-[4-[(2R)-oxolan-2-yl]butyl]isoquinoline-1-carboxamide
CID 126435802
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
5-chloro-N-[4-(oxolan-2-yl)butyl]pyridine-2-carboxamide
CID 131894667
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide (CID 126450624) is 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide is O=C(NCCCC[C@H]1CCCO1)c1cccc(-c2ncccc2F)c1.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The InChIKey is SPNIKYULFVUWLK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-10-4-12-22-19(18)15-6-3-7-16(14-15)20(24)23-11-2-1-8-17-9-5-13-25-17/h3-4,6-7,10,12,14,17H,1-2,5,8-9,11,13H2,(H,23,24)/t17-/m0/s1.
What are the key properties of 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide is sourced from PubChem (CID 126450624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).