4-cyclohexa-2,4-dien-1-ylbenzamide

C13H13NO — CID 154350232

IUPAC4-cyclohexa-2,4-dien-1-ylbenzamide
SMILESNC(=O)c1ccc(C2C=CC=CC2)cc1
InChIInChI=1S/C13H13NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-4,6-10H,5H2,(H2,14,15)
InChIKeyYGOISLSRCXWMAT-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.39
Rot. Bonds2

About 4-cyclohexa-2,4-dien-1-ylbenzamide

4-cyclohexa-2,4-dien-1-ylbenzamide (PubChem CID 154350232) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-ylbenzamide.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-ylbenzamide
PubChem CID154350232
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-cyclohexa-2,4-dien-1-ylbenzamide
SMILESNC(=O)c1ccc(C2C=CC=CC2)cc1
InChIInChI=1S/C13H13NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-4,6-10H,5H2,(H2,14,15)
InChIKeyYGOISLSRCXWMAT-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexa-2,4-dien-1-ylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
CID 13139025
(4-cyclohexa-2,4-dien-1-ylphenyl)-methylazanium
CID 145025036
1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
CID 126515673
1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene
CID 174755041
4-piperidin-4-ylbenzamide;hydrochloride
CID 68719929
(2S)-N-(1-amino-2-hydroxybutylidene)-1-(4-cyclohexa-2,4-dien-1-ylbenzoyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 142196031
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-[[5-cyclohexa-2,4-dien-1-yl-2-(9H-fluoren-3-yl)-4-phenylimidazol-1-yl]methyl]benzamide
CID 59293888
4-phenylcyclohexa-1,5-diene-1-carboxamide
CID 22238857
3-phenylcyclohexa-1,5-diene-1-carboxamide
CID 66830151
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-3-phenyl-1,2-dihydrobenzimidazole;ethane
CID 143688496

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-ylbenzamide?
The IUPAC name of 4-cyclohexa-2,4-dien-1-ylbenzamide (CID 154350232) is 4-cyclohexa-2,4-dien-1-ylbenzamide.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-ylbenzamide?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-ylbenzamide is NC(=O)c1ccc(C2C=CC=CC2)cc1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-ylbenzamide?
The InChIKey is YGOISLSRCXWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-4,6-10H,5H2,(H2,14,15).
What are the key properties of 4-cyclohexa-2,4-dien-1-ylbenzamide?
4-cyclohexa-2,4-dien-1-ylbenzamide has a molecular weight of 199.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-ylbenzamide is sourced from PubChem (CID 154350232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).