2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide

C11H9Cl2NO2 — CID 54242641

IUPAC2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)C=C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C11H9Cl2NO2/c12-5-1-6-7(9(13)2-5)3-10(15)8(6)4-11(14)16/h1-2,4,10,15H,3H2,(H2,14,16)
InChIKeyQRBVNGJLVATNJY-UHFFFAOYSA-N
MW258.10 g/mol
LogP1.78
Rot. Bonds1

About 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide

2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 54242641) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID54242641
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)C=C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C11H9Cl2NO2/c12-5-1-6-7(9(13)2-5)3-10(15)8(6)4-11(14)16/h1-2,4,10,15H,3H2,(H2,14,16)
InChIKeyQRBVNGJLVATNJY-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 102551558
(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetic acid
CID 67563935
(1S,2S)-2-amino-4,6-dichloro-2,3-dihydro-1H-inden-1-ol
CID 51557059
5-(5,7-dichloro-3-oxo-1,2-dihydroinden-2-yl)pentanoic acid
CID 13254254
acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline
CID 175094246
4,6-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 139885956
(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
CID 99842404
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457058
4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one
CID 91595212
1-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 45043209
2-amino-1-(2,4,6-trichlorophenyl)ethanone
CID 70444583
2-amino-5,7-dichloro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432274

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide (CID 54242641) is 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)C=C1c2cc(Cl)cc(Cl)c2CC1O.
What is the InChIKey of 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is QRBVNGJLVATNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c12-5-1-6-7(9(13)2-5)3-10(15)8(6)4-11(14)16/h1-2,4,10,15H,3H2,(H2,14,16).
What are the key properties of 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide?
2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 258.10 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-2-hydroxy-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 54242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).