3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide

C13H10Cl3N3O3 — CID 108788791

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3O3/c14-7-5-8(15)12(9(16)6-7)17-10(20)1-3-19-4-2-11(21)18-13(19)22/h2,4-6H,1,3H2,(H,17,20)(H,18,21,22)
InChIKeyGNWRUMHIXPNFPS-UHFFFAOYSA-N
MW362.60 g/mol
LogP2.53
Rot. Bonds4

About 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide (PubChem CID 108788791) has the molecular formula C13H10Cl3N3O3 and a molecular weight of 362.60 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
PubChem CID108788791
Molecular FormulaC13H10Cl3N3O3
Molecular Weight362.60 g/mol
Exact Mass360.98
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3O3/c14-7-5-8(15)12(9(16)6-7)17-10(20)1-3-19-4-2-11(21)18-13(19)22/h2,4-6H,1,3H2,(H,17,20)(H,18,21,22)
InChIKeyGNWRUMHIXPNFPS-UHFFFAOYSA-N
XLogP2.53
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801689
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-2-methylphenyl)propanamide
CID 108788652
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669
3-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-4-methylbenzoic acid
CID 108801568
3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 108801580
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801659
4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]butanoic acid
CID 108788657
N-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788640
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide (CID 108788791) is 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide is O=C(CCn1ccc(=O)[nH]c1=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide?
The InChIKey is GNWRUMHIXPNFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O3/c14-7-5-8(15)12(9(16)6-7)17-10(20)1-3-19-4-2-11(21)18-13(19)22/h2,4-6H,1,3H2,(H,17,20)(H,18,21,22).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide has a molecular weight of 362.60 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide is sourced from PubChem (CID 108788791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).