N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

C19H15F2N3O2 — CID 121063662

IUPACN-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3O2/c20-15-7-4-8-16(21)14(15)10-22-18(25)11-24-12-23-17(9-19(24)26)13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,22,25)
InChIKeyBLVDRWWKEBVZEQ-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.50
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (PubChem CID 121063662) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
PubChem CID121063662
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1c(F)cccc1F
InChIInChI=1S/C19H15F2N3O2/c20-15-7-4-8-16(21)14(15)10-22-18(25)11-24-12-23-17(9-19(24)26)13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,22,25)
InChIKeyBLVDRWWKEBVZEQ-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-oxo-4-phenylpyrimidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063676
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261950
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052772
N-butan-2-yl-2-[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063397
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261996
N-[(2-fluorophenyl)methyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9456009
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
N-[(2,6-difluorophenyl)methyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051414
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (CID 121063662) is N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The InChIKey is BLVDRWWKEBVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-15-7-4-8-16(21)14(15)10-22-18(25)11-24-12-23-17(9-19(24)26)13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,22,25).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide has a molecular weight of 355.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121063662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).