2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide

C15H19FN2O3 — CID 115699827

IUPAC2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-11(2)10-21-8-7-17-14(19)9-18-15(20)12-5-3-4-6-13(12)16/h3-6H,1,7-10H2,2H3,(H,17,19)(H,18,20)
InChIKeyHXKRGFJNKBWWJI-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.26
Rot. Bonds8

About 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 115699827) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID115699827
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H19FN2O3/c1-11(2)10-21-8-7-17-14(19)9-18-15(20)12-5-3-4-6-13(12)16/h3-6H,1,7-10H2,2H3,(H,17,19)(H,18,20)
InChIKeyHXKRGFJNKBWWJI-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699642
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide (CID 115699827) is 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide is C=C(C)COCCNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is HXKRGFJNKBWWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-11(2)10-21-8-7-17-14(19)9-18-15(20)12-5-3-4-6-13(12)16/h3-6H,1,7-10H2,2H3,(H,17,19)(H,18,20).
What are the key properties of 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 294.33 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 115699827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).