2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide

C21H19N3O2 — CID 18144257

IUPAC2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide
SMILESO=C(CNc1ccc2c3c(cccc13)CC2)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H19N3O2/c25-19(24-21(26)23-16-6-2-1-3-7-16)13-22-18-12-11-15-10-9-14-5-4-8-17(18)20(14)15/h1-8,11-12,22H,9-10,13H2,(H2,23,24,25,26)
InChIKeyGOWGYDNYZJLYKP-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.70
Rot. Bonds4

About 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide (PubChem CID 18144257) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide
PubChem CID18144257
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide
SMILESO=C(CNc1ccc2c3c(cccc13)CC2)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H19N3O2/c25-19(24-21(26)23-16-6-2-1-3-7-16)13-22-18-12-11-15-10-9-14-5-4-8-17(18)20(14)15/h1-8,11-12,22H,9-10,13H2,(H2,23,24,25,26)
InChIKeyGOWGYDNYZJLYKP-UHFFFAOYSA-N
XLogP3.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-iodophenyl)acetamide
CID 24562392
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 35811813
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
N-cyclopropyl-2-[[2-(1,2-dihydroacenaphthylen-5-ylamino)acetyl]amino]benzamide
CID 35812185
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358
N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
CID 41397541
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
CID 16576546
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 112804434
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 800367
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 55470342
N-(1,2-dihydroacenaphthylen-5-yl)-1-phenylcyclopentane-1-carboxamide
CID 17148227
N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
CID 30309317

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide (CID 18144257) is 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide is O=C(CNc1ccc2c3c(cccc13)CC2)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide?
The InChIKey is GOWGYDNYZJLYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-19(24-21(26)23-16-6-2-1-3-7-16)13-22-18-12-11-15-10-9-14-5-4-8-17(18)20(14)15/h1-8,11-12,22H,9-10,13H2,(H2,23,24,25,26).
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide?
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 18144257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).