3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C18H13Cl2N3O3 — CID 4210205

IUPAC3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13Cl2N3O3/c19-12-6-7-14(13(20)8-12)21-17(25)15-9-16(24)23(18(26)22-15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26)
InChIKeyFEXWXSBMNJZODZ-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.14
Rot. Bonds4

About 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 4210205) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID4210205
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13Cl2N3O3/c19-12-6-7-14(13(20)8-12)21-17(25)15-9-16(24)23(18(26)22-15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26)
InChIKeyFEXWXSBMNJZODZ-UHFFFAOYSA-N
XLogP3.14
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 3695666
3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
CID 112523234
5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide
CID 58810330
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
[2-(2,4-dichloroanilino)-2-oxoethyl] N,N-dibenzylcarbamodithioate
CID 11488359
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
5-chloro-1-[(3-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 3766196
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
N-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 68952080
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 4210205) is 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is FEXWXSBMNJZODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c19-12-6-7-14(13(20)8-12)21-17(25)15-9-16(24)23(18(26)22-15)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,26).
What are the key properties of 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 390.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 4210205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).