N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

C21H19NO — CID 23877086

IUPACN-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H19NO/c1-2-14-6-3-4-9-19(14)22-21(23)18-13-12-16-11-10-15-7-5-8-17(18)20(15)16/h3-9,12-13H,2,10-11H2,1H3,(H,22,23)
InChIKeyAVADDNJRPBVEPI-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.75
Rot. Bonds3

About N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 23877086) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID23877086
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC NameN-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H19NO/c1-2-14-6-3-4-9-19(14)22-21(23)18-13-12-16-11-10-15-7-5-8-17(18)20(15)16/h3-9,12-13H,2,10-11H2,1H3,(H,22,23)
InChIKeyAVADDNJRPBVEPI-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 1301177
N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23992050
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23940641
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 37397845
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 68765514
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
N,N-diethyl-1,2-dihydroacenaphthylene-5-carboxamide
CID 50849902
2-ethoxy-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide;oxalic acid
CID 68765513
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 23877086) is N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is CCc1ccccc1NC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is AVADDNJRPBVEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-2-14-6-3-4-9-19(14)22-21(23)18-13-12-16-11-10-15-7-5-8-17(18)20(15)16/h3-9,12-13H,2,10-11H2,1H3,(H,22,23).
What are the key properties of N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 23877086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).