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

C21H20FNO4 — CID 7700579

IUPACN-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)NCc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H20FNO4/c1-13(2)18-10-21(25)27-19-9-16(7-8-17(18)19)26-12-20(24)23-11-14-3-5-15(22)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyIKJAYRKMAJRXHX-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.75
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (PubChem CID 7700579) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
PubChem CID7700579
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)NCc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H20FNO4/c1-13(2)18-10-21(25)27-19-9-16(7-8-17(18)19)26-12-20(24)23-11-14-3-5-15(22)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyIKJAYRKMAJRXHX-UHFFFAOYSA-N
XLogP3.75
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 7700509
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanamide
CID 4246306
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700484
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700608
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599
N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 29433424
7-[(3-fluoro-4-methoxyphenyl)methoxy]-4-propan-2-ylchromen-2-one
CID 112788248
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 112806529

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide (CID 7700579) is N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is CC(C)c1cc(=O)oc2cc(OCC(=O)NCc3ccc(F)cc3)ccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
The InChIKey is IKJAYRKMAJRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-13(2)18-10-21(25)27-19-9-16(7-8-17(18)19)26-12-20(24)23-11-14-3-5-15(22)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide?
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide has a molecular weight of 369.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 7700579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).