N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide

C14H14FN3O3 — CID 2148457

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide
SMILESCn1c(NC(=O)Cc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14FN3O3/c1-17-11(8-13(20)18(2)14(17)21)16-12(19)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19)
InChIKeyPOSLCQQJAPMTLB-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.40
Rot. Bonds3

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 2148457) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide
PubChem CID2148457
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide
SMILESCn1c(NC(=O)Cc2ccc(F)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H14FN3O3/c1-17-11(8-13(20)18(2)14(17)21)16-12(19)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19)
InChIKeyPOSLCQQJAPMTLB-UHFFFAOYSA-N
XLogP0.40
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide (CID 2148457) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide is Cn1c(NC(=O)Cc2ccc(F)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is POSLCQQJAPMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-17-11(8-13(20)18(2)14(17)21)16-12(19)7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 291.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2148457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).