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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Related Compounds

Phenacemide
CID 4753
5-Benzyluracil
CID 236212
6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
5-benzyl-6-chloro-1H-pyrimidine-2,4-dione
CID 23648513
5-Phenyluracil
CID 287110
6-Amino-1-benzyluracil
CID 250746
6-Chloro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648518
6-Chloro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648521
6-Fluoro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648527
4-(2-Fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2912658
6-(2-phenylethylamino)-1H-pyrimidine-2,4-dione
CID 308653
N-hexyl-2,4-dioxo-5-phenyl-pyrimidine-1-carboxamide
CID 71654890

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).