2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide

C15H19F2N3O2 — CID 52685018

IUPAC2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CC)Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2N3O2/c1-3-8-18-15(22)19-14(21)10-20(4-2)9-11-12(16)6-5-7-13(11)17/h3,5-7H,1,4,8-10H2,2H3,(H2,18,19,21,22)
InChIKeyGNIZBSTYTUCXAI-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.80
Rot. Bonds7

About 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide

2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 52685018) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID52685018
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CC)Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2N3O2/c1-3-8-18-15(22)19-14(21)10-20(4-2)9-11-12(16)6-5-7-13(11)17/h3,5-7H,1,4,8-10H2,2H3,(H2,18,19,21,22)
InChIKeyGNIZBSTYTUCXAI-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide
CID 52685023
N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide
CID 52685012
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221865
N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 60572967
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
2-[(3-bromo-2,6-difluorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 106268754
N-ethyl-2-[ethyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetamide
CID 78795286
2-[(2,6-difluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115883250

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide (CID 52685018) is 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(CC)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is GNIZBSTYTUCXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-3-8-18-15(22)19-14(21)10-20(4-2)9-11-12(16)6-5-7-13(11)17/h3,5-7H,1,4,8-10H2,2H3,(H2,18,19,21,22).
What are the key properties of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 311.33 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 52685018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).