2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide

C13H11ClFN3O3 — CID 114585167

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCOc1c(Cl)ncn(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C13H11ClFN3O3/c1-21-11-12(14)16-7-18(13(11)20)6-10(19)17-9-4-2-8(15)3-5-9/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyNFBNKXGCZVNNBA-UHFFFAOYSA-N
MW311.70 g/mol
LogP1.68
Rot. Bonds4

About 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 114585167) has the molecular formula C13H11ClFN3O3 and a molecular weight of 311.70 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID114585167
Molecular FormulaC13H11ClFN3O3
Molecular Weight311.70 g/mol
Exact Mass311.05
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCOc1c(Cl)ncn(CC(=O)Nc2ccc(F)cc2)c1=O
InChIInChI=1S/C13H11ClFN3O3/c1-21-11-12(14)16-7-18(13(11)20)6-10(19)17-9-4-2-8(15)3-5-9/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyNFBNKXGCZVNNBA-UHFFFAOYSA-N
XLogP1.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(cyanomethyl)acetamide
CID 114585387
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 114585479
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7118567
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)-N-(4-fluorophenyl)acetamide
CID 50765461
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 114583395
N-(4-fluorophenyl)-2-[3-(3-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869684
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7488504
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 114584066
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114585353

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide (CID 114585167) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide is COc1c(Cl)ncn(CC(=O)Nc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is NFBNKXGCZVNNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O3/c1-21-11-12(14)16-7-18(13(11)20)6-10(19)17-9-4-2-8(15)3-5-9/h2-5,7H,6H2,1H3,(H,17,19).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 311.70 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 114585167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).