2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C18H27ClN2O — CID 15130808

IUPAC2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-14(2)17(13-21-9-4-5-10-21)20(3)18(22)12-15-7-6-8-16(19)11-15/h6-8,11,14,17H,4-5,9-10,12-13H2,1-3H3/t17-/m1/s1
InChIKeyVFANMXCXZRXTST-QGZVFWFLSA-N
MW322.88 g/mol
LogP3.46
Rot. Bonds6

About 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 15130808) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID15130808
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2O/c1-14(2)17(13-21-9-4-5-10-21)20(3)18(22)12-15-7-6-8-16(19)11-15/h6-8,11,14,17H,4-5,9-10,12-13H2,1-3H3/t17-/m1/s1
InChIKeyVFANMXCXZRXTST-QGZVFWFLSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.46
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-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 15130808) is 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is VFANMXCXZRXTST-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-14(2)17(13-21-9-4-5-10-21)20(3)18(22)12-15-7-6-8-16(19)11-15/h6-8,11,14,17H,4-5,9-10,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(3-chlorophenyl)-N-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 322.88 g/mol, XLogP of 3.46, 6 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-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 15130808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).