N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

C20H20Cl2N2O2 — CID 108970085

IUPACN-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-12-8-13-6-4-5-7-17(13)24(12)19(26)20(2,3)18(25)23-16-10-14(21)9-15(22)11-16/h4-7,9-12H,8H2,1-3H3,(H,23,25)
InChIKeyPBQFSHFHPQMEQJ-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.94
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108970085) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108970085
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H20Cl2N2O2/c1-12-8-13-6-4-5-7-17(13)24(12)19(26)20(2,3)18(25)23-16-10-14(21)9-15(22)11-16/h4-7,9-12H,8H2,1-3H3,(H,23,25)
InChIKeyPBQFSHFHPQMEQJ-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108968686
N-(3,4-dimethylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108967984
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970024
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958516
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108960333
2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 94843290
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108966814
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108959421
N-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
N-(2,4-dichlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108502910

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108970085) is N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is CC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is PBQFSHFHPQMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-12-8-13-6-4-5-7-17(13)24(12)19(26)20(2,3)18(25)23-16-10-14(21)9-15(22)11-16/h4-7,9-12H,8H2,1-3H3,(H,23,25).
What are the key properties of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 391.30 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108970085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).