N-hexa-1,3,5-trien-2-ylbenzamide

C13H13NO — CID 123631469

IUPACN-hexa-1,3,5-trien-2-ylbenzamide
SMILESC=CC=CC(=C)NC(=O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-3-4-8-11(2)14-13(15)12-9-6-5-7-10-12/h3-10H,1-2H2,(H,14,15)
InChIKeyXLDSMBZWTCOTJO-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.67
Rot. Bonds4

About N-hexa-1,3,5-trien-2-ylbenzamide

N-hexa-1,3,5-trien-2-ylbenzamide (PubChem CID 123631469) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-2-ylbenzamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-2-ylbenzamide
PubChem CID123631469
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN-hexa-1,3,5-trien-2-ylbenzamide
SMILESC=CC=CC(=C)NC(=O)c1ccccc1
InChIInChI=1S/C13H13NO/c1-3-4-8-11(2)14-13(15)12-9-6-5-7-10-12/h3-10H,1-2H2,(H,14,15)
InChIKeyXLDSMBZWTCOTJO-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
2-benzamidopenta-2,4-dienoic acid
CID 87146493
N-[(1E,3E)-1-(methanethioylamino)hexa-1,3,5-trien-3-yl]benzamide
CID 130413292
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510
1-phenylethenylcarbamic acid
CID 70424061
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914
N-[(Z)-prop-2-enylideneamino]benzamide
CID 5356202
N-methylbenzamide
CID 11954

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3,5-trien-2-ylbenzamide?
The IUPAC name of N-hexa-1,3,5-trien-2-ylbenzamide (CID 123631469) is N-hexa-1,3,5-trien-2-ylbenzamide.
What is the SMILES notation for N-hexa-1,3,5-trien-2-ylbenzamide?
The canonical SMILES for N-hexa-1,3,5-trien-2-ylbenzamide is C=CC=CC(=C)NC(=O)c1ccccc1.
What is the InChIKey of N-hexa-1,3,5-trien-2-ylbenzamide?
The InChIKey is XLDSMBZWTCOTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-3-4-8-11(2)14-13(15)12-9-6-5-7-10-12/h3-10H,1-2H2,(H,14,15).
What are the key properties of N-hexa-1,3,5-trien-2-ylbenzamide?
N-hexa-1,3,5-trien-2-ylbenzamide has a molecular weight of 199.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-2-ylbenzamide is sourced from PubChem (CID 123631469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).