N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide

C21H21Cl2N3O2 — CID 9287032

IUPACN-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-12-19(14-7-4-5-10-17(14)24-12)21(28)13(2)26(3)11-18(27)25-20-15(22)8-6-9-16(20)23/h4-10,13,24H,11H2,1-3H3,(H,25,27)/t13-/m1/s1
InChIKeyCHNZAIMQBAHRKR-CYBMUJFWSA-N
MW418.32 g/mol
LogP4.92
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide (PubChem CID 9287032) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
PubChem CID9287032
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC NameN-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c1-12-19(14-7-4-5-10-17(14)24-12)21(28)13(2)26(3)11-18(27)25-20-15(22)8-6-9-16(20)23/h4-10,13,24H,11H2,1-3H3,(H,25,27)/t13-/m1/s1
InChIKeyCHNZAIMQBAHRKR-CYBMUJFWSA-N
XLogP4.92
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 9036720
N-(3-methoxyphenyl)-2-[methyl-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide
CID 18082938
2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795857
2-[methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 40795859
(2R)-1-(2-methyl-1H-indol-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propan-1-one
CID 9434127
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 4824924
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 109398298
2-[ethyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027114
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(4-chlorophenyl)-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 9167362

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide (CID 9287032) is N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
The InChIKey is CHNZAIMQBAHRKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c1-12-19(14-7-4-5-10-17(14)24-12)21(28)13(2)26(3)11-18(27)25-20-15(22)8-6-9-16(20)23/h4-10,13,24H,11H2,1-3H3,(H,25,27)/t13-/m1/s1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide has a molecular weight of 418.32 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[methyl-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]amino]acetamide is sourced from PubChem (CID 9287032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).