N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide

C16H18FN3O2 — CID 121063397

IUPACN-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1cnc(-c2ccccc2F)cc1=O
InChIInChI=1S/C16H18FN3O2/c1-3-11(2)19-15(21)9-20-10-18-14(8-16(20)22)12-6-4-5-7-13(12)17/h4-8,10-11H,3,9H2,1-2H3,(H,19,21)
InChIKeyRBALYIVVYWNNPY-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.96
Rot. Bonds5

About N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide

N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121063397) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121063397
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1cnc(-c2ccccc2F)cc1=O
InChIInChI=1S/C16H18FN3O2/c1-3-11(2)19-15(21)9-20-10-18-14(8-16(20)22)12-6-4-5-7-13(12)17/h4-8,10-11H,3,9H2,1-2H3,(H,19,21)
InChIKeyRBALYIVVYWNNPY-UHFFFAOYSA-N
XLogP1.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063662
(2R,3S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 95394872
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[(2S)-butan-2-yl]acetamide
CID 7488299
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 7271774
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-[(2S)-butan-2-yl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7629298
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide (CID 121063397) is N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide is CCC(C)NC(=O)Cn1cnc(-c2ccccc2F)cc1=O.
What is the InChIKey of N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is RBALYIVVYWNNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-3-11(2)19-15(21)9-20-10-18-14(8-16(20)22)12-6-4-5-7-13(12)17/h4-8,10-11H,3,9H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121063397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).