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

C19H20Cl2N2O — CID 41448326

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC[C@H]2c2ccccc2)c1Cl
InChIInChI=1S/C19H20Cl2N2O/c1-13-9-10-15(20)19(18(13)21)22-17(24)12-23-11-5-8-16(23)14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeySWSUYHBRQSHNTJ-INIZCTEOSA-N
MW363.29 g/mol
LogP5.08
Rot. Bonds4

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

N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide (PubChem CID 41448326) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
PubChem CID41448326
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC[C@H]2c2ccccc2)c1Cl
InChIInChI=1S/C19H20Cl2N2O/c1-13-9-10-15(20)19(18(13)21)22-17(24)12-23-11-5-8-16(23)14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeySWSUYHBRQSHNTJ-INIZCTEOSA-N
XLogP5.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831287
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681882
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279
2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 2708283
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41456404
N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655751
2-(2-phenylpyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78835208
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide (CID 41448326) is N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCC[C@H]2c2ccccc2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is SWSUYHBRQSHNTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-13-9-10-15(20)19(18(13)21)22-17(24)12-23-11-5-8-16(23)14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 363.29 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 41448326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).