2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide

C19H14ClF2N3O3 — CID 50755440

IUPAC2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H14ClF2N3O3/c20-16-4-2-1-3-12(16)10-24-6-5-18(27)25(19(24)28)11-17(26)23-15-8-13(21)7-14(22)9-15/h1-9H,10-11H2,(H,23,26)
InChIKeyAUKSTEVEWYARHB-UHFFFAOYSA-N
MW405.79 g/mol
LogP2.63
Rot. Bonds5

About 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide

2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 50755440) has the molecular formula C19H14ClF2N3O3 and a molecular weight of 405.79 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID50755440
Molecular FormulaC19H14ClF2N3O3
Molecular Weight405.79 g/mol
Exact Mass405.07
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C19H14ClF2N3O3/c20-16-4-2-1-3-12(16)10-24-6-5-18(27)25(19(24)28)11-17(26)23-15-8-13(21)7-14(22)9-15/h1-9H,10-11H2,(H,23,26)
InChIKeyAUKSTEVEWYARHB-UHFFFAOYSA-N
XLogP2.63
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755388
2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 50755514
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755299
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 112845975
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 17497149
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 16565921
N-(5-chloro-2-methylphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755349
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 26260742
N-(2,5-difluorophenyl)-2-[3-[(3-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755199
2-[3-[(4-fluorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-propan-2-ylacetamide
CID 50755241

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 50755440) is 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is AUKSTEVEWYARHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O3/c20-16-4-2-1-3-12(16)10-24-6-5-18(27)25(19(24)28)11-17(26)23-15-8-13(21)7-14(22)9-15/h1-9H,10-11H2,(H,23,26).
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide?
2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 405.79 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 50755440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).