2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide

C13H12N2O2 — CID 137429104

IUPAC2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide
SMILESO=NC(=O)c1ccccc1NC1=CCCC=C1
InChIInChI=1S/C13H12N2O2/c16-13(15-17)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,4-9,14H,1,3H2
InChIKeyBSDZHFUIYZQHOB-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.24
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide

2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide (PubChem CID 137429104) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide
PubChem CID137429104
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide
SMILESO=NC(=O)c1ccccc1NC1=CCCC=C1
InChIInChI=1S/C13H12N2O2/c16-13(15-17)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,4-9,14H,1,3H2
InChIKeyBSDZHFUIYZQHOB-UHFFFAOYSA-N
XLogP3.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide (CID 137429104) is 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide is O=NC(=O)c1ccccc1NC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide?
The InChIKey is BSDZHFUIYZQHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(15-17)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h2,4-9,14H,1,3H2.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide?
2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide has a molecular weight of 228.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylamino)-N-oxobenzamide is sourced from PubChem (CID 137429104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).