N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C18H14FNO4 — CID 863920

IUPACN-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3F)ccc12
InChIInChI=1S/C18H14FNO4/c1-11-8-18(22)24-16-9-12(6-7-13(11)16)23-10-17(21)20-15-5-3-2-4-14(15)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyPKTBNDRZMMLQPD-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.26
Rot. Bonds4

About N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 863920) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID863920
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC NameN-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3F)ccc12
InChIInChI=1S/C18H14FNO4/c1-11-8-18(22)24-16-9-12(6-7-13(11)16)23-10-17(21)20-15-5-3-2-4-14(15)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyPKTBNDRZMMLQPD-UHFFFAOYSA-N
XLogP3.26
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.26
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

N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844131
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147
2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
CID 1283385
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599
2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 863920) is N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3F)ccc12.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is PKTBNDRZMMLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-11-8-18(22)24-16-9-12(6-7-13(11)16)23-10-17(21)20-15-5-3-2-4-14(15)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 327.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 863920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).