N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C23H26FNO4 — CID 72890202

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCC1(c3cccc(F)c3)CCOCC1)C2
InChIInChI=1S/C23H26FNO4/c1-27-20-7-2-4-16-12-17(14-29-21(16)20)22(26)25-15-23(8-10-28-11-9-23)18-5-3-6-19(24)13-18/h2-7,13,17H,8-12,14-15H2,1H3,(H,25,26)
InChIKeyKIPWRHDYKOLMOI-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.25
Rot. Bonds5

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72890202) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72890202
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCC1(c3cccc(F)c3)CCOCC1)C2
InChIInChI=1S/C23H26FNO4/c1-27-20-7-2-4-16-12-17(14-29-21(16)20)22(26)25-15-23(8-10-28-11-9-23)18-5-3-6-19(24)13-18/h2-7,13,17H,8-12,14-15H2,1H3,(H,25,26)
InChIKeyKIPWRHDYKOLMOI-UHFFFAOYSA-N
XLogP3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 72890202) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NCC1(c3cccc(F)c3)CCOCC1)C2.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KIPWRHDYKOLMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-27-20-7-2-4-16-12-17(14-29-21(16)20)22(26)25-15-23(8-10-28-11-9-23)18-5-3-6-19(24)13-18/h2-7,13,17H,8-12,14-15H2,1H3,(H,25,26).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72890202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).