N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide

C21H20FN3O3 — CID 49807238

IUPACN-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2C3=CC=C(C=C3)F)C
InChIInChI=1S/C21H20FN3O3/c1-3-28-18-10-8-17(9-11-18)24-19(26)13-25-20(27)12-14(2)23-21(25)15-4-6-16(22)7-5-15/h4-12H,3,13H2,1-2H3,(H,24,26)
InChIKeySVJKPJJTEHUOKU-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.80
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide

N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide (PubChem CID 49807238) has the molecular formula C21H20FN3O3 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
PubChem CID49807238
Molecular FormulaC21H20FN3O3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC NameN-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2C3=CC=C(C=C3)F)C
InChIInChI=1S/C21H20FN3O3/c1-3-28-18-10-8-17(9-11-18)24-19(26)13-25-20(27)12-14(2)23-21(25)15-4-6-16(22)7-5-15/h4-12H,3,13H2,1-2H3,(H,24,26)
InChIKeySVJKPJJTEHUOKU-UHFFFAOYSA-N
XLogP2.80
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity633

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 136197286
CID 136197286
CID 136197281
CID 136197281
CID 136197445
CID 136197445
CID 155524955
CID 155524955
CID 155537188
CID 155537188
CID 2920816
CID 2920816
CID 44568117
CID 44568117
CID 136197297
CID 136197297
CID 136197398
CID 136197398
CID 136197417
CID 136197417
CID 1033987
CID 1033987
CID 6603168
CID 6603168

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide (CID 49807238) is N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide is CCOC1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2C3=CC=C(C=C3)F)C.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide?
The InChIKey is SVJKPJJTEHUOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-3-28-18-10-8-17(9-11-18)24-19(26)13-25-20(27)12-14(2)23-21(25)15-4-6-16(22)7-5-15/h4-12H,3,13H2,1-2H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide?
N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide is sourced from PubChem (CID 49807238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).