N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

C21H23ClN2O2 — CID 113128090

IUPACN-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-8-9-18(13-19(14)22)23(16(3)25)11-10-21(26)24-15(2)12-17-6-4-5-7-20(17)24/h4-9,13,15H,10-12H2,1-3H3
InChIKeyTWPQENXYYNECHO-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.37
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide

N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (PubChem CID 113128090) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
PubChem CID113128090
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c1-14-8-9-18(13-19(14)22)23(16(3)25)11-10-21(26)24-15(2)12-17-6-4-5-7-20(17)24/h4-9,13,15H,10-12H2,1-3H3
InChIKeyTWPQENXYYNECHO-UHFFFAOYSA-N
XLogP4.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113131813
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129931
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)acetamide
CID 113167631
N-(3-chloro-4-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108955284
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113116087
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
N-(3-chlorophenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143849
N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100797059
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113120320
3-(2,4-dichlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100607219
3-(3-chloro-2-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109038364
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)acetamide
CID 113124503

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide (CID 113128090) is N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1c2ccccc2CC1C)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
The InChIKey is TWPQENXYYNECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-14-8-9-18(13-19(14)22)23(16(3)25)11-10-21(26)24-15(2)12-17-6-4-5-7-20(17)24/h4-9,13,15H,10-12H2,1-3H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide?
N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide has a molecular weight of 370.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113128090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).