2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide

C18H17F2NO — CID 86857535

IUPAC2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCc1ccccc1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H17F2NO/c1-2-12-21(13-11-14-7-4-3-5-8-14)18(22)17-15(19)9-6-10-16(17)20/h2-10H,1,11-13H2
InChIKeyDAQHWASTGJORBG-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.84
Rot. Bonds6

About 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide

2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide (PubChem CID 86857535) has the molecular formula C18H17F2NO and a molecular weight of 301.34 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
PubChem CID86857535
Molecular FormulaC18H17F2NO
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCc1ccccc1)C(=O)c1c(F)cccc1F
InChIInChI=1S/C18H17F2NO/c1-2-12-21(13-11-14-7-4-3-5-8-14)18(22)17-15(19)9-6-10-16(17)20/h2-10H,1,11-13H2
InChIKeyDAQHWASTGJORBG-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
2-(2-aminoethyl)-N-(2-phenylethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 120626005
1-(4-fluorophenyl)-6-oxo-N-(2-phenylethyl)-N-prop-2-enylpyridazine-3-carboxamide
CID 47082609
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
N-(2-fluorophenyl)-2-[2-phenylethyl(prop-2-enyl)amino]acetamide
CID 86860874
2-amino-N-ethyl-3-fluoro-N-(2-phenylethyl)benzamide
CID 81499615
2-fluoro-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 46992128
phenyl N-[2-(3,5-difluorophenyl)ethyl]-N-prop-2-enylcarbamate
CID 58659677

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide (CID 86857535) is 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide is C=CCN(CCc1ccccc1)C(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide?
The InChIKey is DAQHWASTGJORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO/c1-2-12-21(13-11-14-7-4-3-5-8-14)18(22)17-15(19)9-6-10-16(17)20/h2-10H,1,11-13H2.
What are the key properties of 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide?
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide has a molecular weight of 301.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 86857535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).