N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide

C21H18N2O — CID 726940

IUPACN-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H18N2O/c1-14(22-23-21(24)17-6-3-2-4-7-17)18-13-12-16-11-10-15-8-5-9-19(18)20(15)16/h2-9,12-13H,10-11H2,1H3,(H,23,24)
InChIKeyAQNYYEHDNRDANO-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.09
Rot. Bonds3

About N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide

N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide (PubChem CID 726940) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide
PubChem CID726940
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC NameN-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C21H18N2O/c1-14(22-23-21(24)17-6-3-2-4-7-17)18-13-12-16-11-10-15-8-5-9-19(18)20(15)16/h2-9,12-13H,10-11H2,1H3,(H,23,24)
InChIKeyAQNYYEHDNRDANO-UHFFFAOYSA-N
XLogP4.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 129432060
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6262458
3-(1,2-dihydroacenaphthylen-5-yl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4638228
1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine
CID 71397092
3-(1,2-dihydroacenaphthylen-5-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6074224
1-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]-3-(1-methoxypropan-2-yl)thiourea
CID 126816390
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazole-5-carboxamide
CID 6010292
(2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone
CID 7053397
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 40817507
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide (CID 726940) is N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide?
The InChIKey is AQNYYEHDNRDANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14(22-23-21(24)17-6-3-2-4-7-17)18-13-12-16-11-10-15-8-5-9-19(18)20(15)16/h2-9,12-13H,10-11H2,1H3,(H,23,24).
What are the key properties of N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide?
N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide has a molecular weight of 314.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2-dihydroacenaphthylen-5-yl)ethylideneamino]benzamide is sourced from PubChem (CID 726940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).