N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide

C18H14BrNO4 — CID 2610857

IUPACN-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14BrNO4/c1-11-8-13(19)4-6-15(11)20-17(21)10-23-14-5-2-12-3-7-18(22)24-16(12)9-14/h2-9H,10H2,1H3,(H,20,21)
InChIKeyFAHWNVGFTHTTCV-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.88
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 2610857) has the molecular formula C18H14BrNO4 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID2610857
Molecular FormulaC18H14BrNO4
Molecular Weight388.22 g/mol
Exact Mass387.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(Br)ccc1NC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C18H14BrNO4/c1-11-8-13(19)4-6-15(11)20-17(21)10-23-14-5-2-12-3-7-18(22)24-16(12)9-14/h2-9H,10H2,1H3,(H,20,21)
InChIKeyFAHWNVGFTHTTCV-UHFFFAOYSA-N
XLogP3.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.88
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

methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32607911
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
N-(5-tert-butyl-2-hydroxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 27672834
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-(5-chloro-2-methoxyphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705141
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
N-(4-bromo-2-methylphenyl)-2-(3-methylphenoxy)acetamide;oxalic acid
CID 171154737

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 2610857) is N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide is Cc1cc(Br)ccc1NC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is FAHWNVGFTHTTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO4/c1-11-8-13(19)4-6-15(11)20-17(21)10-23-14-5-2-12-3-7-18(22)24-16(12)9-14/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 388.22 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2610857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).