N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

C20H21ClN2O4 — CID 113180259

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESCOc1cc(N(CC(=O)N2CCc3ccccc32)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-13(24)23(17-11-18(26-2)15(21)10-19(17)27-3)12-20(25)22-9-8-14-6-4-5-7-16(14)22/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyWNQRZRGHRQRPSE-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.30
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (PubChem CID 113180259) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
PubChem CID113180259
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
SMILESCOc1cc(N(CC(=O)N2CCc3ccccc32)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C20H21ClN2O4/c1-13(24)23(17-11-18(26-2)15(21)10-19(17)27-3)12-20(25)22-9-8-14-6-4-5-7-16(14)22/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyWNQRZRGHRQRPSE-UHFFFAOYSA-N
XLogP3.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[acetyl-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]benzoate
CID 113176111
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
N-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113178299
N-(2,6-dichlorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113134217
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)acetamide
CID 113167942
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122079
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128955
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113121269
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide (CID 113180259) is N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is COc1cc(N(CC(=O)N2CCc3ccccc32)C(C)=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
The InChIKey is WNQRZRGHRQRPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-13(24)23(17-11-18(26-2)15(21)10-19(17)27-3)12-20(25)22-9-8-14-6-4-5-7-16(14)22/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide has a molecular weight of 388.85 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113180259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).