4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide

C14H19FN2O2 — CID 42623361

IUPAC4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC/C(F)=C\CN)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(2)17-14(18)11-3-5-13(6-4-11)19-9-12(15)7-8-16/h3-7,10H,8-9,16H2,1-2H3,(H,17,18)/b12-7+
InChIKeyNSNPYIPDZOUXRV-KPKJPENVSA-N
MW266.32 g/mol
LogP2.02
Rot. Bonds6

About 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide

4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide (PubChem CID 42623361) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide
PubChem CID42623361
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(OC/C(F)=C\CN)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(2)17-14(18)11-3-5-13(6-4-11)19-9-12(15)7-8-16/h3-7,10H,8-9,16H2,1-2H3,(H,17,18)/b12-7+
InChIKeyNSNPYIPDZOUXRV-KPKJPENVSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide (CID 42623361) is 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(OC/C(F)=C\CN)cc1.
What is the InChIKey of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide?
The InChIKey is NSNPYIPDZOUXRV-KPKJPENVSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(2)17-14(18)11-3-5-13(6-4-11)19-9-12(15)7-8-16/h3-7,10H,8-9,16H2,1-2H3,(H,17,18)/b12-7+.
What are the key properties of 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide?
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide has a molecular weight of 266.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 42623361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).