N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

C21H24Cl2N2O3 — CID 8831287

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2c(Cl)ccc(C)c2Cl)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-13-6-8-16(22)21(20(13)23)24-19(26)12-25-10-4-5-17(25)15-11-14(27-2)7-9-18(15)28-3/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyKVXQBBFEHHLPHO-KRWDZBQOSA-N
MW423.34 g/mol
LogP5.09
Rot. Bonds6

About N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 8831287) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID8831287
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2c(Cl)ccc(C)c2Cl)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-13-6-8-16(22)21(20(13)23)24-19(26)12-25-10-4-5-17(25)15-11-14(27-2)7-9-18(15)28-3/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyKVXQBBFEHHLPHO-KRWDZBQOSA-N
XLogP5.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
N-(5-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831667
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
N-(2,6-diethylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8832055
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 8833628
N-(2,6-dichlorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 24589296
N-(2-chloro-4-fluorophenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 16566283
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448326
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 17427218
4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8833892
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide (CID 8831287) is N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2c(Cl)ccc(C)c2Cl)c1.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is KVXQBBFEHHLPHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-13-6-8-16(22)21(20(13)23)24-19(26)12-25-10-4-5-17(25)15-11-14(27-2)7-9-18(15)28-3/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 423.34 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 8831287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).