N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide

C16H17NO — CID 144544369

IUPACN-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2=CC=CC3CC23)cc1
InChIInChI=1S/C16H17NO/c1-2-11-6-8-12(9-7-11)16(18)17-15-5-3-4-13-10-14(13)15/h3-9,13-14H,2,10H2,1H3,(H,17,18)
InChIKeyYCFKIPOFAHOICU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.07
Rot. Bonds3

About N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide

N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide (PubChem CID 144544369) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide
PubChem CID144544369
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC2=CC=CC3CC23)cc1
InChIInChI=1S/C16H17NO/c1-2-11-6-8-12(9-7-11)16(18)17-15-5-3-4-13-10-14(13)15/h3-9,13-14H,2,10H2,1H3,(H,17,18)
InChIKeyYCFKIPOFAHOICU-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53282362
N-(2-chloroprop-2-enyl)-4-ethylbenzamide
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ethane;4-ethyl-N-hydroxybenzamide
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4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
ethane;4-ethyl-N-(4-methylphenyl)benzamide
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N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-[4-[4-(cyclohexanecarbonyl)phenyl]phenyl]-4-ethylbenzamide
CID 143314196
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
N-[3-(dimethylamino)cyclopentyl]-4-ethylbenzamide
CID 75396929
N-(4-ethylphenyl)benzamide
CID 774063
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide?
The IUPAC name of N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide (CID 144544369) is N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide is CCc1ccc(C(=O)NC2=CC=CC3CC23)cc1.
What is the InChIKey of N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide?
The InChIKey is YCFKIPOFAHOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-11-6-8-12(9-7-11)16(18)17-15-5-3-4-13-10-14(13)15/h3-9,13-14H,2,10H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide?
N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide has a molecular weight of 239.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-4-ethylbenzamide is sourced from PubChem (CID 144544369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).