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

C23H28ClN3O3 — CID 24982071

IUPAC2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)CCNC(=O)c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C23H28ClN3O3/c1-30-21-11-5-3-9-18(21)20(27-14-6-7-15-27)16-26-22(28)12-13-25-23(29)17-8-2-4-10-19(17)24/h2-5,8-11,20H,6-7,12-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyMWHYSQOAXWNAGG-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.42
Rot. Bonds9

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

2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide (PubChem CID 24982071) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
PubChem CID24982071
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)CCNC(=O)c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C23H28ClN3O3/c1-30-21-11-5-3-9-18(21)20(27-14-6-7-15-27)16-26-22(28)12-13-25-23(29)17-8-2-4-10-19(17)24/h2-5,8-11,20H,6-7,12-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyMWHYSQOAXWNAGG-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide (CID 24982071) is 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide is COc1ccccc1C(CNC(=O)CCNC(=O)c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is MWHYSQOAXWNAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-30-21-11-5-3-9-18(21)20(27-14-6-7-15-27)16-26-22(28)12-13-25-23(29)17-8-2-4-10-19(17)24/h2-5,8-11,20H,6-7,12-16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 429.95 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24982071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).