2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide

C20H18FNO4 — CID 11948020

IUPAC2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
InChIInChI=1S/C20H18FNO4/c1-22(2)19(23)9-14-10-20(24)26-18-11-16(6-7-17(14)18)25-12-13-4-3-5-15(21)8-13/h3-8,10-11H,9,12H2,1-2H3
InChIKeyNAQTXWKNXIOFFO-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.14
Rot. Bonds5

About 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide

2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide (PubChem CID 11948020) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide
PubChem CID11948020
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12
InChIInChI=1S/C20H18FNO4/c1-22(2)19(23)9-14-10-20(24)26-18-11-16(6-7-17(14)18)25-12-13-4-3-5-15(21)8-13/h3-8,10-11H,9,12H2,1-2H3
InChIKeyNAQTXWKNXIOFFO-UHFFFAOYSA-N
XLogP3.14
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.14
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

3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
CID 1121024
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949
N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
CID 11947976
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
4-(hydroxymethyl)-7-[[4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]phenyl]methoxy]chromen-2-one
CID 177377058
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
3-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]propanenitrile
CID 118723932
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
5-[(4-ethyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylic acid
CID 705665

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide (CID 11948020) is 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cc(=O)oc2cc(OCc3cccc(F)c3)ccc12.
What is the InChIKey of 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide?
The InChIKey is NAQTXWKNXIOFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-22(2)19(23)9-14-10-20(24)26-18-11-16(6-7-17(14)18)25-12-13-4-3-5-15(21)8-13/h3-8,10-11H,9,12H2,1-2H3.
What are the key properties of 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide?
2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide has a molecular weight of 355.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 11948020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).