2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide

C20H26F2N4O2 — CID 121416928

IUPAC2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OCC(F)F
InChIInChI=1S/C20H26F2N4O2/c1-5-26(11-10-25(4)20-23-14(2)12-15(3)24-20)19(27)16-8-6-7-9-17(16)28-13-18(21)22/h6-9,12,18H,5,10-11,13H2,1-4H3
InChIKeyVERXBTJKXAFEKY-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.34
Rot. Bonds9

About 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide

2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide (PubChem CID 121416928) has the molecular formula C20H26F2N4O2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide
PubChem CID121416928
Molecular FormulaC20H26F2N4O2
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide
SMILESCCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OCC(F)F
InChIInChI=1S/C20H26F2N4O2/c1-5-26(11-10-25(4)20-23-14(2)12-15(3)24-20)19(27)16-8-6-7-9-17(16)28-13-18(21)22/h6-9,12,18H,5,10-11,13H2,1-4H3
InChIKeyVERXBTJKXAFEKY-UHFFFAOYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide with MolForge

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Related Compounds

(E)-but-2-enedioic acid;3-chloro-4-[4-[5-(4-methylpyrimidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one
CID 46905547
3-Chloro-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18327916
3-Methyl-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328103
4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328121
N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162651544
6-methyl-N-methylsulfonyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162652957
N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162655083
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162658767
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide
CID 135547802
2-methoxy-N-({[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino}carbonyl)benzamide
CID 1506080
(2-Ethoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878784
N-(4-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)-2-methoxybenzamide
CID 27478490

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide (CID 121416928) is 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide is CCN(CCN(C)c1nc(C)cc(C)n1)C(=O)c1ccccc1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
The InChIKey is VERXBTJKXAFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O2/c1-5-26(11-10-25(4)20-23-14(2)12-15(3)24-20)19(27)16-8-6-7-9-17(16)28-13-18(21)22/h6-9,12,18H,5,10-11,13H2,1-4H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide?
2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-N-ethylbenzamide is sourced from PubChem (CID 121416928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).