2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

C19H26Cl2N2O — CID 46878012

IUPAC2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-15(20)7-6-8-16(14)21)17-9-2-3-10-18(17)23-11-4-5-12-23/h6-8,17-18H,2-5,9-13H2,1H3/t17-,18+/m1/s1
InChIKeyFYKYWEMMAMBGMQ-MSOLQXFVSA-N
MW369.34 g/mol
LogP4.40
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 46878012) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID46878012
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-15(20)7-6-8-16(14)21)17-9-2-3-10-18(17)23-11-4-5-12-23/h6-8,17-18H,2-5,9-13H2,1H3/t17-,18+/m1/s1
InChIKeyFYKYWEMMAMBGMQ-MSOLQXFVSA-N
XLogP4.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 46878012) is 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is FYKYWEMMAMBGMQ-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-15(20)7-6-8-16(14)21)17-9-2-3-10-18(17)23-11-4-5-12-23/h6-8,17-18H,2-5,9-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 46878012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).