2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C28H17ClN4O3 — CID 108799328

IUPAC2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESN#Cc1c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H17ClN4O3/c29-20-13-11-19(12-14-20)25-31-16-22(26(34)32-25)27(35)33-28-21(15-30)23(17-7-3-1-4-8-17)24(36-28)18-9-5-2-6-10-18/h1-14,16H,(H,33,35)(H,31,32,34)
InChIKeyXCRNKHYALDCRHB-UHFFFAOYSA-N
MW492.92 g/mol
LogP6.14
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 108799328) has the molecular formula C28H17ClN4O3 and a molecular weight of 492.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID108799328
Molecular FormulaC28H17ClN4O3
Molecular Weight492.92 g/mol
Exact Mass492.10
IUPAC Name2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESN#Cc1c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C28H17ClN4O3/c29-20-13-11-19(12-14-20)25-31-16-22(26(34)32-25)27(35)33-28-21(15-30)23(17-7-3-1-4-8-17)24(36-28)18-9-5-2-6-10-18/h1-14,16H,(H,33,35)(H,31,32,34)
InChIKeyXCRNKHYALDCRHB-UHFFFAOYSA-N
XLogP6.14
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.92
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799405
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
2-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786231
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786335
4-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108799385
N-(4-bromo-2-methylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799250
2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786296

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 108799328) is 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide is N#Cc1c(NC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]c2=O)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XCRNKHYALDCRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClN4O3/c29-20-13-11-19(12-14-20)25-31-16-22(26(34)32-25)27(35)33-28-21(15-30)23(17-7-3-1-4-8-17)24(36-28)18-9-5-2-6-10-18/h1-14,16H,(H,33,35)(H,31,32,34).
What are the key properties of 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 492.92 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108799328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).