N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

C17H11Cl2N3O3 — CID 16815209

IUPACN-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H11Cl2N3O3/c18-13-7-6-10(8-14(13)19)21-15(23)12-9-20-17(25)22(16(12)24)11-4-2-1-3-5-11/h1-9H,(H,20,25)(H,21,23)
InChIKeyBPDPWDXKWMTATP-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.08
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 16815209) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID16815209
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC NameN-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H11Cl2N3O3/c18-13-7-6-10(8-14(13)19)21-15(23)12-9-20-17(25)22(16(12)24)11-4-2-1-3-5-11/h1-9H,(H,20,25)(H,21,23)
InChIKeyBPDPWDXKWMTATP-UHFFFAOYSA-N
XLogP3.08
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (CID 16815209) is N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is BPDPWDXKWMTATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c18-13-7-6-10(8-14(13)19)21-15(23)12-9-20-17(25)22(16(12)24)11-4-2-1-3-5-11/h1-9H,(H,20,25)(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 376.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 16815209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).