N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

C22H22FNO4 — CID 112806529

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccccc3F)ccc12
InChIInChI=1S/C22H22FNO4/c1-14(2)18-11-22(26)28-20-10-16(8-9-17(18)20)27-13-21(25)24(3)12-15-6-4-5-7-19(15)23/h4-11,14H,12-13H2,1-3H3
InChIKeyCIHMRPJWRDHJPB-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.09
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (PubChem CID 112806529) has the molecular formula C22H22FNO4 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
PubChem CID112806529
Molecular FormulaC22H22FNO4
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccccc3F)ccc12
InChIInChI=1S/C22H22FNO4/c1-14(2)18-11-22(26)28-20-10-16(8-9-17(18)20)27-13-21(25)24(3)12-15-6-4-5-7-19(15)23/h4-11,14H,12-13H2,1-3H3
InChIKeyCIHMRPJWRDHJPB-UHFFFAOYSA-N
XLogP4.09
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 29433424
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 26024046
N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 31645462
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 78814812
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (CID 112806529) is N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is CC(C)c1cc(=O)oc2cc(OCC(=O)N(C)Cc3ccccc3F)ccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The InChIKey is CIHMRPJWRDHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4/c1-14(2)18-11-22(26)28-20-10-16(8-9-17(18)20)27-13-21(25)24(3)12-15-6-4-5-7-19(15)23/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide has a molecular weight of 383.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 112806529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).