N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide

C20H16N2O4 — CID 86259664

IUPACN-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H16N2O4/c1-13-16(21-18(23)14-8-4-2-5-9-14)12-17(20(25)26-13)22-19(24)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyYDTGSUWAOYVXCZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.45
Rot. Bonds4

About N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide

N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide (PubChem CID 86259664) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
PubChem CID86259664
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide
SMILESCc1oc(=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H16N2O4/c1-13-16(21-18(23)14-8-4-2-5-9-14)12-17(20(25)26-13)22-19(24)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,23)(H,22,24)
InChIKeyYDTGSUWAOYVXCZ-UHFFFAOYSA-N
XLogP3.45
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-acetyl-6-[(E)-2-anilinoethenyl]-2-oxopyran-3-yl]benzamide
CID 10809398
N-[6-[(E)-2-(dimethylamino)ethenyl]-5-[(1R)-1-hydroxyethyl]-2-oxopyran-3-yl]benzamide
CID 679969
methyl 5-benzamido-2-(2-methoxy-2-oxoethyl)-6-oxopyran-3-carboxylate
CID 15192186
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
3,4-dimethyl-N-(3-oxobenzo[f]chromen-2-yl)benzamide
CID 4558442
ethyl 5-benzamido-2-[(E)-2-(4-bromoanilino)ethenyl]-6-oxopyran-3-carboxylate
CID 10576791
zinc N-(2-sulfanylphenyl)benzamide
CID 22756062
N-(2-ethyl-4-methylphenyl)benzamide
CID 174323635

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide?
The IUPAC name of N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide (CID 86259664) is N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide.
What is the SMILES notation for N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide?
The canonical SMILES for N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide is Cc1oc(=O)c(NC(=O)c2ccccc2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide?
The InChIKey is YDTGSUWAOYVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-13-16(21-18(23)14-8-4-2-5-9-14)12-17(20(25)26-13)22-19(24)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide?
N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide has a molecular weight of 348.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-6-methyl-2-oxopyran-3-yl)benzamide is sourced from PubChem (CID 86259664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).