2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate

C19H15N2O5- — CID 163438886

IUPAC2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate
SMILES[H]/N=C(\[O-])c1cc(C(=O)c2ccc(C(N)=O)c(C(C)=O)c2)ccc1C(C)=O
InChIInChI=1S/C19H16N2O5/c1-9(22)13-5-3-12(8-16(13)19(21)26)17(24)11-4-6-14(18(20)25)15(7-11)10(2)23/h3-8H,1-2H3,(H2,20,25)(H2,21,26)/p-1
InChIKeyZHJBNIGCANXZFQ-UHFFFAOYSA-M
MW351.34 g/mol
LogP1.11
Rot. Bonds6

About 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate

2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate (PubChem CID 163438886) has the molecular formula C19H15N2O5- and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate.

Molecular Properties

Compound Name2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate
PubChem CID163438886
Molecular FormulaC19H15N2O5-
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate
SMILES[H]/N=C(\[O-])c1cc(C(=O)c2ccc(C(N)=O)c(C(C)=O)c2)ccc1C(C)=O
InChIInChI=1S/C19H16N2O5/c1-9(22)13-5-3-12(8-16(13)19(21)26)17(24)11-4-6-14(18(20)25)15(7-11)10(2)23/h3-8H,1-2H3,(H2,20,25)(H2,21,26)/p-1
InChIKeyZHJBNIGCANXZFQ-UHFFFAOYSA-M
XLogP1.11
TPSA141.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate?
The IUPAC name of 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate (CID 163438886) is 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate.
What is the SMILES notation for 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate?
The canonical SMILES for 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate is [H]/N=C(\[O-])c1cc(C(=O)c2ccc(C(N)=O)c(C(C)=O)c2)ccc1C(C)=O.
What is the InChIKey of 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate?
The InChIKey is ZHJBNIGCANXZFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N2O5/c1-9(22)13-5-3-12(8-16(13)19(21)26)17(24)11-4-6-14(18(20)25)15(7-11)10(2)23/h3-8H,1-2H3,(H2,20,25)(H2,21,26)/p-1.
What are the key properties of 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate?
2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate has a molecular weight of 351.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-(3-acetyl-4-carbamoylbenzoyl)benzenecarboximidate is sourced from PubChem (CID 163438886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).