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

C22H26ClN3O3 — CID 25161878

IUPAC2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C22H26ClN3O3/c1-29-20-11-5-3-9-17(20)19(26-12-6-7-13-26)14-24-21(27)15-25-22(28)16-8-2-4-10-18(16)23/h2-5,8-11,19H,6-7,12-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyDVQLYYYVLZWZGJ-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.03
Rot. Bonds8

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

2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 25161878) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID25161878
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C22H26ClN3O3/c1-29-20-11-5-3-9-17(20)19(26-12-6-7-13-26)14-24-21(27)15-25-22(28)16-8-2-4-10-18(16)23/h2-5,8-11,19H,6-7,12-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyDVQLYYYVLZWZGJ-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 25161878) is 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is COc1ccccc1C(CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is DVQLYYYVLZWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-29-20-11-5-3-9-17(20)19(26-12-6-7-13-26)14-24-21(27)15-25-22(28)16-8-2-4-10-18(16)23/h2-5,8-11,19H,6-7,12-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 415.92 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 25161878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).