2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide

C24H22N2O4 — CID 146739104

IUPAC2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide
SMILESCC1(C)C2=C(C(=O)c3ccc(OCC(=O)NCCO)cc31)c1ccc(C#N)cc1C2
InChIInChI=1S/C24H22N2O4/c1-24(2)19-11-16(30-13-21(28)26-7-8-27)4-6-18(19)23(29)22-17-5-3-14(12-25)9-15(17)10-20(22)24/h3-6,9,11,27H,7-8,10,13H2,1-2H3,(H,26,28)
InChIKeyRJZRALCXZRGVQH-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.53
Rot. Bonds5

About 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide

2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide (PubChem CID 146739104) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide
PubChem CID146739104
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide
SMILESCC1(C)C2=C(C(=O)c3ccc(OCC(=O)NCCO)cc31)c1ccc(C#N)cc1C2
InChIInChI=1S/C24H22N2O4/c1-24(2)19-11-16(30-13-21(28)26-7-8-27)4-6-18(19)23(29)22-17-5-3-14(12-25)9-15(17)10-20(22)24/h3-6,9,11,27H,7-8,10,13H2,1-2H3,(H,26,28)
InChIKeyRJZRALCXZRGVQH-UHFFFAOYSA-N
XLogP2.53
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide with MolForge

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Related Compounds

8-[2-(tert-butylamino)ethoxy]-10,10-dimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 153235398
10,10-dimethyl-5-oxo-8-(pyridin-4-ylmethoxy)-11H-benzo[b]fluorene-2-carbonitrile
CID 147262680
4-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-7-yl)oxy]butanoic acid
CID 152956294
5-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-7-yl)oxy]pentanoic acid
CID 146832312
10,10-dimethyl-5-oxo-8-[2-(3-oxopiperazin-1-yl)ethoxy]-11H-benzo[b]fluorene-2-carbonitrile
CID 160826592
10,10-dimethyl-5-oxo-8-(1,2,3,6-tetrahydropyridin-4-yl)-11H-benzo[b]fluorene-2-carbonitrile
CID 153171922
8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one
CID 148501866
8-[4-(2-methoxyethyl)piperazine-1-carbonyl]-10,10-dimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 159422328
7-ethynyl-8-methoxy-10,10-dimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 159784155
(7-chloro-2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl) trifluoromethanesulfonate
CID 149211222
8-[(2R)-2,3-dihydroxypropoxy]-1,10,10-trimethyl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
CID 158987407
N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]acetamide
CID 54586751

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide (CID 146739104) is 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide is CC1(C)C2=C(C(=O)c3ccc(OCC(=O)NCCO)cc31)c1ccc(C#N)cc1C2.
What is the InChIKey of 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide?
The InChIKey is RJZRALCXZRGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-24(2)19-11-16(30-13-21(28)26-7-8-27)4-6-18(19)23(29)22-17-5-3-14(12-25)9-15(17)10-20(22)24/h3-6,9,11,27H,7-8,10,13H2,1-2H3,(H,26,28).
What are the key properties of 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide?
2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide has a molecular weight of 402.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxy]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 146739104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).