N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

C18H13F2NO5 — CID 2705048

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H13F2NO5/c19-18(20)25-13-6-3-12(4-7-13)21-16(22)10-24-14-5-1-11-2-8-17(23)26-15(11)9-14/h1-9,18H,10H2,(H,21,22)
InChIKeySZAJIOZSKACMQP-UHFFFAOYSA-N
MW361.30 g/mol
LogP3.41
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2705048) has the molecular formula C18H13F2NO5 and a molecular weight of 361.30 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2705048
Molecular FormulaC18H13F2NO5
Molecular Weight361.30 g/mol
Exact Mass361.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H13F2NO5/c19-18(20)25-13-6-3-12(4-7-13)21-16(22)10-24-14-5-1-11-2-8-17(23)26-15(11)9-14/h1-9,18H,10H2,(H,21,22)
InChIKeySZAJIOZSKACMQP-UHFFFAOYSA-N
XLogP3.41
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(4-cyclopentylsulfonylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 46547829
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 46808974
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
[2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55468723
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55865739

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 2705048) is N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is SZAJIOZSKACMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO5/c19-18(20)25-13-6-3-12(4-7-13)21-16(22)10-24-14-5-1-11-2-8-17(23)26-15(11)9-14/h1-9,18H,10H2,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 361.30 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2705048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).