3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C20H23ClN2O2 — CID 46422201

IUPAC3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C20H23ClN2O2/c1-25-19-10-3-2-9-17(19)18(23-11-4-5-12-23)14-22-20(24)15-7-6-8-16(21)13-15/h2-3,6-10,13,18H,4-5,11-12,14H2,1H3,(H,22,24)
InChIKeyPYLDGIKASQRUPA-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.92
Rot. Bonds6

About 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 46422201) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID46422201
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C20H23ClN2O2/c1-25-19-10-3-2-9-17(19)18(23-11-4-5-12-23)14-22-20(24)15-7-6-8-16(21)13-15/h2-3,6-10,13,18H,4-5,11-12,14H2,1H3,(H,22,24)
InChIKeyPYLDGIKASQRUPA-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43006287
3-(methanesulfonamido)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 55950743
2-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51926822
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472231
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472228
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 46422201) is 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1ccccc1C(CNC(=O)c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is PYLDGIKASQRUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-25-19-10-3-2-9-17(19)18(23-11-4-5-12-23)14-22-20(24)15-7-6-8-16(21)13-15/h2-3,6-10,13,18H,4-5,11-12,14H2,1H3,(H,22,24).
What are the key properties of 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 46422201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).