N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide

C17H15NO3 — CID 10333913

IUPACN-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide
SMILESCc1ccc2c(c1NC(=O)c1ccccc1)OCCC2=O
InChIInChI=1S/C17H15NO3/c1-11-7-8-13-14(19)9-10-21-16(13)15(11)18-17(20)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyNJOILPICWPRWIC-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.21
Rot. Bonds2

About N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide

N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide (PubChem CID 10333913) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide.

Molecular Properties

Compound NameN-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide
PubChem CID10333913
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide
SMILESCc1ccc2c(c1NC(=O)c1ccccc1)OCCC2=O
InChIInChI=1S/C17H15NO3/c1-11-7-8-13-14(19)9-10-21-16(13)15(11)18-17(20)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyNJOILPICWPRWIC-UHFFFAOYSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
The IUPAC name of N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide (CID 10333913) is N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide.
What is the SMILES notation for N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
The canonical SMILES for N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide is Cc1ccc2c(c1NC(=O)c1ccccc1)OCCC2=O.
What is the InChIKey of N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
The InChIKey is NJOILPICWPRWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-7-8-13-14(19)9-10-21-16(13)15(11)18-17(20)12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide?
N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide has a molecular weight of 281.31 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-4-oxo-2,3-dihydrochromen-8-yl)benzamide is sourced from PubChem (CID 10333913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).