5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide

C19H25FN2O3 — CID 166424601

IUPAC5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide
SMILESC=CC(=O)N1CC(CC(C)NC(=O)c2cc(F)ccc2OC(C)C)C1
InChIInChI=1S/C19H25FN2O3/c1-5-18(23)22-10-14(11-22)8-13(4)21-19(24)16-9-15(20)6-7-17(16)25-12(2)3/h5-7,9,12-14H,1,8,10-11H2,2-4H3,(H,21,24)
InChIKeyNXQAXGUMGFMPJY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.77
Rot. Bonds7

About 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide

5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide (PubChem CID 166424601) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide
PubChem CID166424601
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide
SMILESC=CC(=O)N1CC(CC(C)NC(=O)c2cc(F)ccc2OC(C)C)C1
InChIInChI=1S/C19H25FN2O3/c1-5-18(23)22-10-14(11-22)8-13(4)21-19(24)16-9-15(20)6-7-17(16)25-12(2)3/h5-7,9,12-14H,1,8,10-11H2,2-4H3,(H,21,24)
InChIKeyNXQAXGUMGFMPJY-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 44270882
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CID 700577
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide?
The IUPAC name of 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide (CID 166424601) is 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide is C=CC(=O)N1CC(CC(C)NC(=O)c2cc(F)ccc2OC(C)C)C1.
What is the InChIKey of 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide?
The InChIKey is NXQAXGUMGFMPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-5-18(23)22-10-14(11-22)8-13(4)21-19(24)16-9-15(20)6-7-17(16)25-12(2)3/h5-7,9,12-14H,1,8,10-11H2,2-4H3,(H,21,24).
What are the key properties of 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide?
5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 166424601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).