N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide

C20H18ClFN4O2 — CID 53201917

IUPACN-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H18ClFN4O2/c1-12-4-3-5-15(8-12)24-20-23-13(2)9-19(28)26(20)11-18(27)25-17-7-6-14(22)10-16(17)21/h3-10H,11H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJYEAAONXMRJFEJ-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.03
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 53201917) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
PubChem CID53201917
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C20H18ClFN4O2/c1-12-4-3-5-15(8-12)24-20-23-13(2)9-19(28)26(20)11-18(27)25-17-7-6-14(22)10-16(17)21/h3-10H,11H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyJYEAAONXMRJFEJ-UHFFFAOYSA-N
XLogP4.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
N-(4-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 50928548
N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201962
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364699
2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53201949
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
N-(2-chloro-4-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266452
N-(2-chloro-4-fluorophenyl)-2-(5,11-dimethyl-2-oxo-10-thia-1,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),5,8,11-tetraen-4-yl)acetamide
CID 53019645
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylphenyl)acetamide
CID 114584182
N-(2-chloro-4-methylphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91903908

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide (CID 53201917) is N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide is Cc1cccc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is JYEAAONXMRJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c1-12-4-3-5-15(8-12)24-20-23-13(2)9-19(28)26(20)11-18(27)25-17-7-6-14(22)10-16(17)21/h3-10H,11H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 400.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 53201917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).