N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide

C22H18N2O4 — CID 2865303

IUPACN-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C3C4CC(=O)C(c5ccccc54)C3C2=O)cc1
InChIInChI=1S/C22H18N2O4/c1-11(25)23-12-6-8-13(9-7-12)24-21(27)19-16-10-17(26)18(20(19)22(24)28)15-5-3-2-4-14(15)16/h2-9,16,18-20H,10H2,1H3,(H,23,25)
InChIKeyXZESUBFBZKJUNK-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.60
Rot. Bonds2

About N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide

N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide (PubChem CID 2865303) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide
PubChem CID2865303
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C3C4CC(=O)C(c5ccccc54)C3C2=O)cc1
InChIInChI=1S/C22H18N2O4/c1-11(25)23-12-6-8-13(9-7-12)24-21(27)19-16-10-17(26)18(20(19)22(24)28)15-5-3-2-4-14(15)16/h2-9,16,18-20H,10H2,1H3,(H,23,25)
InChIKeyXZESUBFBZKJUNK-UHFFFAOYSA-N
XLogP2.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide?
The IUPAC name of N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide (CID 2865303) is N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C3C4CC(=O)C(c5ccccc54)C3C2=O)cc1.
What is the InChIKey of N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide?
The InChIKey is XZESUBFBZKJUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-11(25)23-12-6-8-13(9-7-12)24-21(27)19-16-10-17(26)18(20(19)22(24)28)15-5-3-2-4-14(15)16/h2-9,16,18-20H,10H2,1H3,(H,23,25).
What are the key properties of N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide?
N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10,12,14-trioxo-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6-triene-11-yl)phenyl]acetamide is sourced from PubChem (CID 2865303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).