N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium

C12H14F2NOY- — CID 59861796

IUPACN,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium
SMILESCCN(CC)C(=O)c1cc(F)[c-]c(C)c1F.[Y]
InChIInChI=1S/C12H14F2NO.Y/c1-4-15(5-2)12(16)10-7-9(13)6-8(3)11(10)14;/h7H,4-5H2,1-3H3;/q-1;
InChIKeyXHDDIZFBXZXLJU-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.55
Rot. Bonds3

About N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium

N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium (PubChem CID 59861796) has the molecular formula C12H14F2NOY- and a molecular weight of 315.15 g/mol. Its IUPAC name is N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium.

Molecular Properties

Compound NameN,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium
PubChem CID59861796
Molecular FormulaC12H14F2NOY-
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC NameN,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium
SMILESCCN(CC)C(=O)c1cc(F)[c-]c(C)c1F.[Y]
InChIInChI=1S/C12H14F2NO.Y/c1-4-15(5-2)12(16)10-7-9(13)6-8(3)11(10)14;/h7H,4-5H2,1-3H3;/q-1;
InChIKeyXHDDIZFBXZXLJU-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
lithium N,N-diethylbenzamide
CID 12872035
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
1,3,6-Trimethyl-4-(trifluoromethyl)pyridin-2-one
CID 89469037
5-Methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 90064732
1,3-Dimethyl-5-(trifluoromethyl)pyridin-2-one
CID 90078394
1-Ethyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078409
1-(2,2-Dimethylpropyl)-5-methyl-3-(trifluoromethyl)pyridin-2-one
CID 90164932
1-ethyl-3-(2-fluoroethenyl)-4-(1-fluoroprop-1-enyl)-2H-pyrrol-5-one
CID 91269404
5-fluoro-1-methyl-3-methylidene-2H-pyridin-6-one
CID 91455016
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
4-(Difluoromethyl)-1,3,6-trimethylpyridin-2-one
CID 124019262

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium?
The IUPAC name of N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium (CID 59861796) is N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium.
What is the SMILES notation for N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium?
The canonical SMILES for N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium is CCN(CC)C(=O)c1cc(F)[c-]c(C)c1F.[Y].
What is the InChIKey of N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium?
The InChIKey is XHDDIZFBXZXLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2NO.Y/c1-4-15(5-2)12(16)10-7-9(13)6-8(3)11(10)14;/h7H,4-5H2,1-3H3;/q-1;.
What are the key properties of N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium?
N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium has a molecular weight of 315.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,5-difluoro-3-methylbenzene-4-ide-1-carboxamide;yttrium is sourced from PubChem (CID 59861796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).