N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide

C22H20F5NO5 — CID 89154864

IUPACN-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCOC(C(=O)NC=O)[C@@H]1CCOc2cc(Oc3ccc(C(F)(F)C(F)(F)F)cc3C)ccc21
InChIInChI=1S/C22H20F5NO5/c1-12-9-13(21(23,24)22(25,26)27)3-6-17(12)33-14-4-5-15-16(7-8-32-18(15)10-14)19(31-2)20(30)28-11-29/h3-6,9-11,16,19H,7-8H2,1-2H3,(H,28,29,30)/t16-,19?/m1/s1
InChIKeyOHBXTOXIMSUQMX-VTBWFHPJSA-N
MW473.39 g/mol
LogP4.60
Rot. Bonds7

About N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide

N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 89154864) has the molecular formula C22H20F5NO5 and a molecular weight of 473.39 g/mol. Its IUPAC name is N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID89154864
Molecular FormulaC22H20F5NO5
Molecular Weight473.39 g/mol
Exact Mass473.13
IUPAC NameN-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCOC(C(=O)NC=O)[C@@H]1CCOc2cc(Oc3ccc(C(F)(F)C(F)(F)F)cc3C)ccc21
InChIInChI=1S/C22H20F5NO5/c1-12-9-13(21(23,24)22(25,26)27)3-6-17(12)33-14-4-5-15-16(7-8-32-18(15)10-14)19(31-2)20(30)28-11-29/h3-6,9-11,16,19H,7-8H2,1-2H3,(H,28,29,30)/t16-,19?/m1/s1
InChIKeyOHBXTOXIMSUQMX-VTBWFHPJSA-N
XLogP4.60
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-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

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 89154864) is N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide is COC(C(=O)NC=O)[C@@H]1CCOc2cc(Oc3ccc(C(F)(F)C(F)(F)F)cc3C)ccc21.
What is the InChIKey of N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is OHBXTOXIMSUQMX-VTBWFHPJSA-N. The full InChI is InChI=1S/C22H20F5NO5/c1-12-9-13(21(23,24)22(25,26)27)3-6-17(12)33-14-4-5-15-16(7-8-32-18(15)10-14)19(31-2)20(30)28-11-29/h3-6,9-11,16,19H,7-8H2,1-2H3,(H,28,29,30)/t16-,19?/m1/s1.
What are the key properties of N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 473.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-methoxy-2-[(4R)-7-[2-methyl-4-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 89154864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).