N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide

C21H20N2O3 — CID 175163770

IUPACN-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
SMILESO=C(C=CCNC(=O)c1ccccc1)C=CCNC(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3/c24-19(13-7-15-22-20(25)17-9-3-1-4-10-17)14-8-16-23-21(26)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,22,25)(H,23,26)
InChIKeyLFCZDGLPPHRIFB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.53
Rot. Bonds8

About N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide

N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide (PubChem CID 175163770) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide.

Molecular Properties

Compound NameN-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
PubChem CID175163770
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
SMILESO=C(C=CCNC(=O)c1ccccc1)C=CCNC(=O)c1ccccc1
InChIInChI=1S/C21H20N2O3/c24-19(13-7-15-22-20(25)17-9-3-1-4-10-17)14-8-16-23-21(26)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,22,25)(H,23,26)
InChIKeyLFCZDGLPPHRIFB-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide?
The IUPAC name of N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide (CID 175163770) is N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide.
What is the SMILES notation for N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide?
The canonical SMILES for N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide is O=C(C=CCNC(=O)c1ccccc1)C=CCNC(=O)c1ccccc1.
What is the InChIKey of N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide?
The InChIKey is LFCZDGLPPHRIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19(13-7-15-22-20(25)17-9-3-1-4-10-17)14-8-16-23-21(26)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,22,25)(H,23,26).
What are the key properties of N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide?
N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide has a molecular weight of 348.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide is sourced from PubChem (CID 175163770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).