N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide

C21H19NO3 — CID 7533068

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1OC
InChIInChI=1S/C21H19NO3/c1-24-18-8-4-7-16(20(18)25-2)21(23)22-17-12-11-14-10-9-13-5-3-6-15(17)19(13)14/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyCKLLRELYFPFGSN-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.21
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide

N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide (PubChem CID 7533068) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
PubChem CID7533068
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1OC
InChIInChI=1S/C21H19NO3/c1-24-18-8-4-7-16(20(18)25-2)21(23)22-17-12-11-14-10-9-13-5-3-6-15(17)19(13)14/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyCKLLRELYFPFGSN-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide 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

N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 91962579
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813
N-(1,2-dihydroacenaphthylen-5-yl)-4-methoxy-3-nitrobenzamide
CID 1121272
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-methoxynaphthalene-2-carboxamide
CID 1343934
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
N-(2,3-dimethoxyphenyl)-2-hydroxybenzamide
CID 90715346
N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
CID 24691830
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 40817507
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dimethoxybenzamide
CID 134008779
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide (CID 7533068) is N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1OC.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide?
The InChIKey is CKLLRELYFPFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-18-8-4-7-16(20(18)25-2)21(23)22-17-12-11-14-10-9-13-5-3-6-15(17)19(13)14/h3-8,11-12H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 7533068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).