N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide

C21H21FN4O2 — CID 53201963

IUPACN-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(Nc2ccc(F)cc2)nc(C)cc1=O)c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-3-25(18-7-5-4-6-8-18)20(28)14-26-19(27)13-15(2)23-21(26)24-17-11-9-16(22)10-12-17/h4-13H,3,14H2,1-2H3,(H,23,24)
InChIKeyVRWHURFKCBEGJJ-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.49
Rot. Bonds6

About N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide

N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide (PubChem CID 53201963) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
PubChem CID53201963
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(Nc2ccc(F)cc2)nc(C)cc1=O)c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-3-25(18-7-5-4-6-8-18)20(28)14-26-19(27)13-15(2)23-21(26)24-17-11-9-16(22)10-12-17/h4-13H,3,14H2,1-2H3,(H,23,24)
InChIKeyVRWHURFKCBEGJJ-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53201949
N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201962
N-benzyl-N-ethyl-2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 95920712
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364699
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 112781178
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
2-[5-(4-fluoroanilino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(2-fluorophenyl)acetamide
CID 53201281
N-ethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 27407304

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide (CID 53201963) is N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide is CCN(C(=O)Cn1c(Nc2ccc(F)cc2)nc(C)cc1=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is VRWHURFKCBEGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-25(18-7-5-4-6-8-18)20(28)14-26-19(27)13-15(2)23-21(26)24-17-11-9-16(22)10-12-17/h4-13H,3,14H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 380.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 53201963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).