2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide

C17H16FNO2 — CID 17113262

IUPAC2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C17H16FNO2/c1-12(2)11-21-16-10-6-5-9-15(16)19-17(20)13-7-3-4-8-14(13)18/h3-10H,1,11H2,2H3,(H,19,20)
InChIKeyKTAHASXVCJFNNJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.03
Rot. Bonds5

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

2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide (PubChem CID 17113262) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
PubChem CID17113262
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1ccccc1NC(=O)c1ccccc1F
InChIInChI=1S/C17H16FNO2/c1-12(2)11-21-16-10-6-5-9-15(16)19-17(20)13-7-3-4-8-14(13)18/h3-10H,1,11H2,2H3,(H,19,20)
InChIKeyKTAHASXVCJFNNJ-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide
CID 131895828
4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68692642
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
2-butoxy-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17113365
N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17113367
2-(2-ethoxyethoxy)-N-(2-fluorophenyl)benzamide
CID 17122747
2-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]carbamothioyl]propanamide
CID 17113349

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide (CID 17113262) is 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide is C=C(C)COc1ccccc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide?
The InChIKey is KTAHASXVCJFNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-12(2)11-21-16-10-6-5-9-15(16)19-17(20)13-7-3-4-8-14(13)18/h3-10H,1,11H2,2H3,(H,19,20).
What are the key properties of 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide?
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide has a molecular weight of 285.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide is sourced from PubChem (CID 17113262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).