3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide

C21H17NO3 — CID 24805828

IUPAC3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide
SMILESCc1ccc2c3c(ccc2c1)OC(=O)CC3c1cccc(C(N)=O)c1
InChIInChI=1S/C21H17NO3/c1-12-5-7-16-14(9-12)6-8-18-20(16)17(11-19(23)25-18)13-3-2-4-15(10-13)21(22)24/h2-10,17H,11H2,1H3,(H2,22,24)
InChIKeyLCCVSUCWEOARCV-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.69
Rot. Bonds2

About 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide

3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide (PubChem CID 24805828) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide.

Molecular Properties

Compound Name3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide
PubChem CID24805828
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide
SMILESCc1ccc2c3c(ccc2c1)OC(=O)CC3c1cccc(C(N)=O)c1
InChIInChI=1S/C21H17NO3/c1-12-5-7-16-14(9-12)6-8-18-20(16)17(11-19(23)25-18)13-3-2-4-15(10-13)21(22)24/h2-10,17H,11H2,1H3,(H2,22,24)
InChIKeyLCCVSUCWEOARCV-UHFFFAOYSA-N
XLogP3.69
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Atb-346
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5H-CHRYSENO(4,5-bcd)PYRAN-5-ONE
CID 51320
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CID 796807
6-oxo-6H-benzo[c]chromene-10-carboxamide
CID 965351
(1R)-8-methyl-1-(4-methylphenyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 24806034
1-butyl-2-methylidene-1H-benzo[f]chromen-3-one
CID 70682158
2-methylidene-1-propan-2-yl-1H-benzo[f]chromen-3-one
CID 70690575
2-(4-fluorophenyl)-7-N,19-N-dimethyl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-dicarboxamide
CID 168276308

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide?
The IUPAC name of 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide (CID 24805828) is 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide.
What is the SMILES notation for 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide?
The canonical SMILES for 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide is Cc1ccc2c3c(ccc2c1)OC(=O)CC3c1cccc(C(N)=O)c1.
What is the InChIKey of 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide?
The InChIKey is LCCVSUCWEOARCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-12-5-7-16-14(9-12)6-8-18-20(16)17(11-19(23)25-18)13-3-2-4-15(10-13)21(22)24/h2-10,17H,11H2,1H3,(H2,22,24).
What are the key properties of 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide?
3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide has a molecular weight of 331.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-3-oxo-1,2-dihydrobenzo[f]chromen-1-yl)benzamide is sourced from PubChem (CID 24805828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).