N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C17H20F2N4O3 — CID 60598705

IUPACN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H20F2N4O3/c1-21(2)7-8-22(10-12-3-4-13(18)9-14(12)19)16(25)11-23-6-5-15(24)20-17(23)26/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,24,26)
InChIKeyBEGVZWIMFKWAMY-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.41
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 60598705) has the molecular formula C17H20F2N4O3 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID60598705
Molecular FormulaC17H20F2N4O3
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C17H20F2N4O3/c1-21(2)7-8-22(10-12-3-4-13(18)9-14(12)19)16(25)11-23-6-5-15(24)20-17(23)26/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,24,26)
InChIKeyBEGVZWIMFKWAMY-UHFFFAOYSA-N
XLogP0.41
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 60598705) is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is BEGVZWIMFKWAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3/c1-21(2)7-8-22(10-12-3-4-13(18)9-14(12)19)16(25)11-23-6-5-15(24)20-17(23)26/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,24,26).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 366.37 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60598705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).