N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide

C22H19ClFN3O5 — CID 99743850

IUPACN-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C2=C1C(=O)OC2
InChIInChI=1S/C22H19ClFN3O5/c1-2-31-17-6-4-3-5-13(17)20-19-16(11-32-21(19)29)27(22(30)26-20)10-18(28)25-15-8-7-12(23)9-14(15)24/h3-9,20H,2,10-11H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1
InChIKeyGPUHHBMWKAEAFL-FQEVSTJZSA-N
MW459.86 g/mol
LogP3.39
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide (PubChem CID 99743850) has the molecular formula C22H19ClFN3O5 and a molecular weight of 459.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
PubChem CID99743850
Molecular FormulaC22H19ClFN3O5
Molecular Weight459.86 g/mol
Exact Mass459.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
SMILESCCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C2=C1C(=O)OC2
InChIInChI=1S/C22H19ClFN3O5/c1-2-31-17-6-4-3-5-13(17)20-19-16(11-32-21(19)29)27(22(30)26-20)10-18(28)25-15-8-7-12(23)9-14(15)24/h3-9,20H,2,10-11H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1
InChIKeyGPUHHBMWKAEAFL-FQEVSTJZSA-N
XLogP3.39
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91895010
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 99743855
2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 99743854
N-(4-chloro-2-fluorophenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91894859
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 99747879
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 99743857
N-(2-chloro-5-fluorophenyl)-2-[(4S)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743780
2-[(4R)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 99743879
2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 99747880
2-[4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91895032
2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 99744718
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 91894895

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide (CID 99743850) is N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide is CCOc1ccccc1[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C2=C1C(=O)OC2.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is GPUHHBMWKAEAFL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19ClFN3O5/c1-2-31-17-6-4-3-5-13(17)20-19-16(11-32-21(19)29)27(22(30)26-20)10-18(28)25-15-8-7-12(23)9-14(15)24/h3-9,20H,2,10-11H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 459.86 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-(2-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 99743850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).