N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide

C23H21Cl2FN2O4 — CID 176846924

IUPACN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide
SMILESO=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc(F)cc4)CCOC3)cc2Cl)C(=O)N1
InChIInChI=1S/C23H21Cl2FN2O4/c24-17-9-13(10-18(25)20(17)16-5-6-19(29)28-21(16)30)11-27-22(31)23(7-8-32-12-23)14-1-3-15(26)4-2-14/h1-4,9-10,16H,5-8,11-12H2,(H,27,31)(H,28,29,30)
InChIKeyQZSRFRCRCBTIHK-UHFFFAOYSA-N
MW479.34 g/mol
LogP3.63
Rot. Bonds5

About N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide (PubChem CID 176846924) has the molecular formula C23H21Cl2FN2O4 and a molecular weight of 479.34 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide
PubChem CID176846924
Molecular FormulaC23H21Cl2FN2O4
Molecular Weight479.34 g/mol
Exact Mass478.09
IUPAC NameN-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide
SMILESO=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc(F)cc4)CCOC3)cc2Cl)C(=O)N1
InChIInChI=1S/C23H21Cl2FN2O4/c24-17-9-13(10-18(25)20(17)16-5-6-19(29)28-21(16)30)11-27-22(31)23(7-8-32-12-23)14-1-3-15(26)4-2-14/h1-4,9-10,16H,5-8,11-12H2,(H,27,31)(H,28,29,30)
InChIKeyQZSRFRCRCBTIHK-UHFFFAOYSA-N
XLogP3.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(5-fluoropyrimidin-2-yl)-2-methylpropanamide
CID 176846759
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(1,2-oxazol-3-yl)propanamide
CID 176846823
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(5-methyl-1,3-oxazol-4-yl)propanamide
CID 176846835
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
N-(2-chloro-4-fluorophenyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582532
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methyl-2-(6-methyl-3-pyridinyl)propanamide
CID 176846793
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1H-imidazol-5-yl)-2-methylpropanamide
CID 176846824
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 119064513
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-(1-ethyl-2-oxo-4-pyridinyl)-2-methylpropanamide
CID 176846777
2-(4-cyano-2-pyridinyl)-N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-2-methylpropanamide
CID 176846888
3-(4-bromo-2,6-dichlorophenyl)piperidine-2,6-dione
CID 171541392
1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 30806810

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide?
The IUPAC name of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide (CID 176846924) is N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide is O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc(F)cc4)CCOC3)cc2Cl)C(=O)N1.
What is the InChIKey of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide?
The InChIKey is QZSRFRCRCBTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O4/c24-17-9-13(10-18(25)20(17)16-5-6-19(29)28-21(16)30)11-27-22(31)23(7-8-32-12-23)14-1-3-15(26)4-2-14/h1-4,9-10,16H,5-8,11-12H2,(H,27,31)(H,28,29,30).
What are the key properties of N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide?
N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide has a molecular weight of 479.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]-3-(4-fluorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 176846924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).