N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C15H15Cl2N3O3 — CID 118574712

IUPACN-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C15H15Cl2N3O3/c1-8(2-3-9-4-5-10(16)11(17)6-9)18-14(22)12-7-13(21)20-15(23)19-12/h4-8H,2-3H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyYBHZPADGABCHOZ-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.12
Rot. Bonds5

About N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 118574712) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID118574712
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C15H15Cl2N3O3/c1-8(2-3-9-4-5-10(16)11(17)6-9)18-14(22)12-7-13(21)20-15(23)19-12/h4-8H,2-3H2,1H3,(H,18,22)(H2,19,20,21,23)
InChIKeyYBHZPADGABCHOZ-UHFFFAOYSA-N
XLogP2.12
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 118574712) is N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC(CCc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is YBHZPADGABCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c1-8(2-3-9-4-5-10(16)11(17)6-9)18-14(22)12-7-13(21)20-15(23)19-12/h4-8H,2-3H2,1H3,(H,18,22)(H2,19,20,21,23).
What are the key properties of N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 356.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)butan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118574712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).