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

C18H23FN2O3 — CID 166424580

IUPAC5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide
SMILESC=CC(=O)N1CC(C(C)NC(=O)c2cc(F)ccc2OC(C)C)C1
InChIInChI=1S/C18H23FN2O3/c1-5-17(22)21-9-13(10-21)12(4)20-18(23)15-8-14(19)6-7-16(15)24-11(2)3/h5-8,11-13H,1,9-10H2,2-4H3,(H,20,23)
InChIKeyYZQRSMRMFQDIBS-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.38
Rot. Bonds6

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

5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide (PubChem CID 166424580) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide
PubChem CID166424580
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide
SMILESC=CC(=O)N1CC(C(C)NC(=O)c2cc(F)ccc2OC(C)C)C1
InChIInChI=1S/C18H23FN2O3/c1-5-17(22)21-9-13(10-21)12(4)20-18(23)15-8-14(19)6-7-16(15)24-11(2)3/h5-8,11-13H,1,9-10H2,2-4H3,(H,20,23)
InChIKeyYZQRSMRMFQDIBS-UHFFFAOYSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide?
The IUPAC name of 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide (CID 166424580) is 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide?
The canonical SMILES for 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide is C=CC(=O)N1CC(C(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)ethyl]benzamide?
The InChIKey is YZQRSMRMFQDIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-5-17(22)21-9-13(10-21)12(4)20-18(23)15-8-14(19)6-7-16(15)24-11(2)3/h5-8,11-13H,1,9-10H2,2-4H3,(H,20,23).
What are the key properties of 5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide?
5-fluoro-2-propan-2-yloxy-N-[1-(1-prop-2-enoylazetidin-3-yl)ethyl]benzamide has a molecular weight of 334.39 g/mol, XLogP of 2.38, 6 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)ethyl]benzamide is sourced from PubChem (CID 166424580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).