N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide

C21H21ClN4O2 — CID 53201894

IUPACN-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C21H21ClN4O2/c1-3-15-6-4-8-17(11-15)25-21-23-14(2)10-20(28)26(21)13-19(27)24-18-9-5-7-16(22)12-18/h4-12H,3,13H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyCLIMETWDAMMHQJ-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.15
Rot. Bonds6

About N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 53201894) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID53201894
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C21H21ClN4O2/c1-3-15-6-4-8-17(11-15)25-21-23-14(2)10-20(28)26(21)13-19(27)24-18-9-5-7-16(22)12-18/h4-12H,3,13H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyCLIMETWDAMMHQJ-UHFFFAOYSA-N
XLogP4.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(2-pyridin-4-ylethyl)phenyl]acetamide
CID 46968973
N-(4-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 50928548
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 114584182
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364699
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887585

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 53201894) is N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide is CCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is CLIMETWDAMMHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-3-15-6-4-8-17(11-15)25-21-23-14(2)10-20(28)26(21)13-19(27)24-18-9-5-7-16(22)12-18/h4-12H,3,13H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 396.88 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 53201894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).