2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide

C18H14BrNO4 — CID 1309838

IUPAC2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide
SMILESCc1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO4/c1-10-17(11-2-4-12(19)5-3-11)18(22)14-7-6-13(8-15(14)24-10)23-9-16(20)21/h2-8H,9H2,1H3,(H2,20,21)
InChIKeyVMMTYCLQUKIFPA-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide

2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide (PubChem CID 1309838) has the molecular formula C18H14BrNO4 and a molecular weight of 388.22 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide
PubChem CID1309838
Molecular FormulaC18H14BrNO4
Molecular Weight388.22 g/mol
Exact Mass387.01
IUPAC Name2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide
SMILESCc1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H14BrNO4/c1-10-17(11-2-4-12(19)5-3-11)18(22)14-7-6-13(8-15(14)24-10)23-9-16(20)21/h2-8H,9H2,1H3,(H2,20,21)
InChIKeyVMMTYCLQUKIFPA-UHFFFAOYSA-N
XLogP3.40
TPSA82.53 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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021
3-(4-bromophenyl)-7-[(2-chlorophenyl)methoxy]-2-methylchromen-4-one
CID 4627336
3-(4-bromophenyl)-7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2-methylchromen-4-one
CID 163167473
[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl] 2-chloro-2-phenylacetate
CID 110274423
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
ethyl 2-[2-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
CID 912979
ethyl 3-(4-bromophenyl)-7-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-4-oxochromene-2-carboxylate
CID 1305750
ethyl 3-(4-bromophenyl)-7-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxy-4-oxochromene-2-carboxylate
CID 1305749
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide (CID 1309838) is 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide is Cc1oc2cc(OCC(N)=O)ccc2c(=O)c1-c1ccc(Br)cc1.
What is the InChIKey of 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is VMMTYCLQUKIFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO4/c1-10-17(11-2-4-12(19)5-3-11)18(22)14-7-6-13(8-15(14)24-10)23-9-16(20)21/h2-8H,9H2,1H3,(H2,20,21).
What are the key properties of 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide?
2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 388.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 1309838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).