N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

C19H19ClN2O2 — CID 108955284

IUPACN-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2c3ccccc3CC2C)cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-12-7-8-15(10-16(12)20)21-18(23)11-19(24)22-13(2)9-14-5-3-4-6-17(14)22/h3-8,10,13H,9,11H2,1-2H3,(H,21,23)
InChIKeyHWZIITQFAKFUIJ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.95
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide

N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (PubChem CID 108955284) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
PubChem CID108955284
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2c3ccccc3CC2C)cc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-12-7-8-15(10-16(12)20)21-18(23)11-19(24)22-13(2)9-14-5-3-4-6-17(14)22/h3-8,10,13H,9,11H2,1-2H3,(H,21,23)
InChIKeyHWZIITQFAKFUIJ-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.95
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-(3,4-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108956828
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
CID 108956522
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
N-(3,4-dichlorophenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 19686698
N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113128090
3-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108956535
2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729209
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
N-(3,4-dimethylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108967984
3-(3,4-difluoroanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109042608

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide (CID 108955284) is N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is Cc1ccc(NC(=O)CC(=O)N2c3ccccc3CC2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
The InChIKey is HWZIITQFAKFUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-12-7-8-15(10-16(12)20)21-18(23)11-19(24)22-13(2)9-14-5-3-4-6-17(14)22/h3-8,10,13H,9,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide?
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide has a molecular weight of 342.83 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108955284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).