3-benzyl-4-ethenylbenzene-1,2-dicarboxamide

C17H16N2O2 — CID 174922883

IUPAC3-benzyl-4-ethenylbenzene-1,2-dicarboxamide
SMILESC=Cc1ccc(C(N)=O)c(C(N)=O)c1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-2-12-8-9-13(16(18)20)15(17(19)21)14(12)10-11-6-4-3-5-7-11/h2-9H,1,10H2,(H2,18,20)(H2,19,21)
InChIKeyFAQLTLRCZGDTQJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.12
Rot. Bonds5

About 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide

3-benzyl-4-ethenylbenzene-1,2-dicarboxamide (PubChem CID 174922883) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name3-benzyl-4-ethenylbenzene-1,2-dicarboxamide
PubChem CID174922883
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-benzyl-4-ethenylbenzene-1,2-dicarboxamide
SMILESC=Cc1ccc(C(N)=O)c(C(N)=O)c1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-2-12-8-9-13(16(18)20)15(17(19)21)14(12)10-11-6-4-3-5-7-11/h2-9H,1,10H2,(H2,18,20)(H2,19,21)
InChIKeyFAQLTLRCZGDTQJ-UHFFFAOYSA-N
XLogP2.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzoyl-3-benzyl-4-ethenylbenzoic acid
CID 68789435
2-benzoyl-4-ethenyl-3-(2-phenylethyl)benzoic acid
CID 69118305
3,4-dibenzyl-2-fluorobenzamide
CID 69484098
2-benzyl-3-chlorobenzamide
CID 23225157
2-carbamoyl-6-[(4-ethenylphenyl)methyl]benzoic acid
CID 151893733
benzene-1,2,3,4-tetracarboxamide
CID 54274025
3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
3-benzyl-4-prop-2-enylphthalic acid
CID 66633539
5-benzyl-2-ethenylbenzoyl chloride;ethane
CID 91515682
3-benzyl-1H-indole-2-carboxamide
CID 70180298
2-(2-benzyl-3-ethenylphenyl)propan-2-amine;hydrochloride
CID 173170448
acridine-1,2-dicarboxamide
CID 154155519

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide?
The IUPAC name of 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide (CID 174922883) is 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide?
The canonical SMILES for 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide is C=Cc1ccc(C(N)=O)c(C(N)=O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide?
The InChIKey is FAQLTLRCZGDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-12-8-9-13(16(18)20)15(17(19)21)14(12)10-11-6-4-3-5-7-11/h2-9H,1,10H2,(H2,18,20)(H2,19,21).
What are the key properties of 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide?
3-benzyl-4-ethenylbenzene-1,2-dicarboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethenylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 174922883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).