2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

C19H27ClN2O — CID 46878003

IUPAC2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H27ClN2O/c1-21(19(23)14-15-7-6-8-16(20)13-15)17-9-2-3-10-18(17)22-11-4-5-12-22/h6-8,13,17-18H,2-5,9-12,14H2,1H3/t17-,18+/m1/s1
InChIKeyWVFITRUKRNWDMA-MSOLQXFVSA-N
MW334.89 g/mol
LogP3.75
Rot. Bonds4

About 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 46878003) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID46878003
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H27ClN2O/c1-21(19(23)14-15-7-6-8-16(20)13-15)17-9-2-3-10-18(17)22-11-4-5-12-22/h6-8,13,17-18H,2-5,9-12,14H2,1H3/t17-,18+/m1/s1
InChIKeyWVFITRUKRNWDMA-MSOLQXFVSA-N
XLogP3.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 46878003) is 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is CN(C(=O)Cc1cccc(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is WVFITRUKRNWDMA-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-21(19(23)14-15-7-6-8-16(20)13-15)17-9-2-3-10-18(17)22-11-4-5-12-22/h6-8,13,17-18H,2-5,9-12,14H2,1H3/t17-,18+/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide has a molecular weight of 334.89 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 46878003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).