2-cyclopenta-1,3-dien-1-ylbenzamide

C12H11NO — CID 22676479

IUPAC2-cyclopenta-1,3-dien-1-ylbenzamide
SMILESNC(=O)c1ccccc1C1=CC=CC1
InChIInChI=1S/C12H11NO/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9/h1-5,7-8H,6H2,(H2,13,14)
InChIKeyQTQKAULHLAKHHE-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.13
Rot. Bonds2

About 2-cyclopenta-1,3-dien-1-ylbenzamide

2-cyclopenta-1,3-dien-1-ylbenzamide (PubChem CID 22676479) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-ylbenzamide.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-ylbenzamide
PubChem CID22676479
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-cyclopenta-1,3-dien-1-ylbenzamide
SMILESNC(=O)c1ccccc1C1=CC=CC1
InChIInChI=1S/C12H11NO/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9/h1-5,7-8H,6H2,(H2,13,14)
InChIKeyQTQKAULHLAKHHE-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 68507659
benzene-1,2-dicarboxamide;hydrazine
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CID 67588186
CID 67588186
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
CID 174354698
4-cyclopenta-1,3-dien-1-yl-2-methylbenzene-1,3-dicarboxylic acid
CID 174392728
2-[2-(methoxymethyl)phenyl]benzamide
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9H-fluorene-1,8-dicarboxamide
CID 21019291
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
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2-(2,6-dichlorophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-ylbenzamide?
The IUPAC name of 2-cyclopenta-1,3-dien-1-ylbenzamide (CID 22676479) is 2-cyclopenta-1,3-dien-1-ylbenzamide.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-ylbenzamide?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-ylbenzamide is NC(=O)c1ccccc1C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-ylbenzamide?
The InChIKey is QTQKAULHLAKHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9/h1-5,7-8H,6H2,(H2,13,14).
What are the key properties of 2-cyclopenta-1,3-dien-1-ylbenzamide?
2-cyclopenta-1,3-dien-1-ylbenzamide has a molecular weight of 185.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-ylbenzamide is sourced from PubChem (CID 22676479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).