N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide

C19H17F2N3O4 — CID 166207974

IUPACN-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1CCCC1(F)F
InChIInChI=1S/C19H17F2N3O4/c1-10-13(15(25)22-12-8-5-9-19(12,20)21)14-16(28-10)23-18(27)24(17(14)26)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,22,25)(H,23,27)
InChIKeyLEKCVHFSUPMQQC-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.50
Rot. Bonds3

About N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide

N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 166207974) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID166207974
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC NameN-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1CCCC1(F)F
InChIInChI=1S/C19H17F2N3O4/c1-10-13(15(25)22-12-8-5-9-19(12,20)21)14-16(28-10)23-18(27)24(17(14)26)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,22,25)(H,23,27)
InChIKeyLEKCVHFSUPMQQC-UHFFFAOYSA-N
XLogP2.50
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide (CID 166207974) is N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1CCCC1(F)F.
What is the InChIKey of N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LEKCVHFSUPMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-10-13(15(25)22-12-8-5-9-19(12,20)21)14-16(28-10)23-18(27)24(17(14)26)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide?
N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopentyl)-6-methyl-2,4-dioxo-3-phenyl-1H-furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 166207974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).