N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide

C24H17BrFNO4 — CID 2351690

IUPACN-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2F)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C24H17BrFNO4/c1-14-9-20(30-13-22(28)27-19-8-7-16(25)11-18(19)26)24-17(15-5-3-2-4-6-15)12-23(29)31-21(24)10-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyAYZWODLAYOUPKC-UHFFFAOYSA-N
MW482.31 g/mol
LogP5.69
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide

N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide (PubChem CID 2351690) has the molecular formula C24H17BrFNO4 and a molecular weight of 482.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
PubChem CID2351690
Molecular FormulaC24H17BrFNO4
Molecular Weight482.31 g/mol
Exact Mass481.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(Br)cc2F)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C24H17BrFNO4/c1-14-9-20(30-13-22(28)27-19-8-7-16(25)11-18(19)26)24-17(15-5-3-2-4-6-15)12-23(29)31-21(24)10-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyAYZWODLAYOUPKC-UHFFFAOYSA-N
XLogP5.69
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.31
LogP ≤ 55.69
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-(2,4-difluorophenyl)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxyacetamide
CID 4972127
N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
CID 1300109
5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one
CID 807140
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
CID 17202089
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
5-[(2-chloro-4-fluorophenyl)methoxy]-7-methyl-4-phenylchromen-2-one
CID 23823945
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325275
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
N-(4-bromo-2-fluorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136824
2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide (CID 2351690) is N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide is Cc1cc(OCC(=O)Nc2ccc(Br)cc2F)c2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
The InChIKey is AYZWODLAYOUPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFNO4/c1-14-9-20(30-13-22(28)27-19-8-7-16(25)11-18(19)26)24-17(15-5-3-2-4-6-15)12-23(29)31-21(24)10-14/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide has a molecular weight of 482.31 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide is sourced from PubChem (CID 2351690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).