N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide

C20H20Cl2N2O2 — CID 108967778

IUPACN-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H20Cl2N2O2/c1-20(2,18(25)23-16-12-14(21)9-10-15(16)22)19(26)24-11-5-7-13-6-3-4-8-17(13)24/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,23,25)
InChIKeyRXWROHQLRCULFB-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.94
Rot. Bonds3

About N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide

N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide (PubChem CID 108967778) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
PubChem CID108967778
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H20Cl2N2O2/c1-20(2,18(25)23-16-12-14(21)9-10-15(16)22)19(26)24-11-5-7-13-6-3-4-8-17(13)24/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,23,25)
InChIKeyRXWROHQLRCULFB-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-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962699
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967754
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108967751
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
CID 108958049
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962811
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967767
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855
1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxo-N-(2,4,6-trimethylphenyl)propanamide
CID 108967644
N-(2,4-dichlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxopropanamide
CID 108964026
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108991269

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide (CID 108967778) is N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide is CC(C)(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)N1CCCc2ccccc21.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The InChIKey is RXWROHQLRCULFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-20(2,18(25)23-16-12-14(21)9-10-15(16)22)19(26)24-11-5-7-13-6-3-4-8-17(13)24/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-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-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108967778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).