N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide

C20H17FN2O5 — CID 7967934

IUPACN-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC(=O)Nc3ccc(F)cc3)ccc12
InChIInChI=1S/C20H17FN2O5/c1-12-8-20(26)28-17-9-15(6-7-16(12)17)27-11-19(25)22-10-18(24)23-14-4-2-13(21)3-5-14/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyOFTBGDUKMLUOQZ-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.37
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide

N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide (PubChem CID 7967934) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
PubChem CID7967934
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC NameN-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCC(=O)Nc3ccc(F)cc3)ccc12
InChIInChI=1S/C20H17FN2O5/c1-12-8-20(26)28-17-9-15(6-7-16(12)17)27-11-19(25)22-10-18(24)23-14-4-2-13(21)3-5-14/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyOFTBGDUKMLUOQZ-UHFFFAOYSA-N
XLogP2.37
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-[(4-fluorophenyl)methyl]-3-hydroxy-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanamide
CID 4246306
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide (CID 7967934) is N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide is Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)Nc3ccc(F)cc3)ccc12.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide?
The InChIKey is OFTBGDUKMLUOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-12-8-20(26)28-17-9-15(6-7-16(12)17)27-11-19(25)22-10-18(24)23-14-4-2-13(21)3-5-14/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide has a molecular weight of 384.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide is sourced from PubChem (CID 7967934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).