3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide

C24H27Cl2N3O3 — CID 69228795

About 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 69228795) has the molecular formula C24H27Cl2N3O3 and a molecular weight of 476.40 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
• PubChem CID: 69228795
• Molecular Formula: C24H27Cl2N3O3
• Molecular Weight: 476.40 g/mol
• Exact Mass: 475.14
• IUPAC Name: 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
• SMILES: O=C(NCC(=O)N1CC[C@@H](N2CCC(c3ccccc3O)CC2)C1)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H27Cl2N3O3/c25-20-6-5-17(13-21(20)26)24(32)27-14-23(31)29-12-9-18(15-29)28-10-7-16(8-11-28)19-3-1-2-4-22(19)30/h1-6,13,16,18,30H,7-12,14-15H2,(H,27,32)/t18-/m1/s1
• InChIKey: WDJUDJLMLZYXGT-GOSISDBHSA-N
• XLogP: 3.91
• TPSA: 72.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.40
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 69228795) is 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CC[C@@H](N2CCC(c3ccccc3O)CC2)C1)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

The InChIKey is WDJUDJLMLZYXGT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27Cl2N3O3/c25-20-6-5-17(13-21(20)26)24(32)27-14-23(31)29-12-9-18(15-29)28-10-7-16(8-11-28)19-3-1-2-4-22(19)30/h1-6,13,16,18,30H,7-12,14-15H2,(H,27,32)/t18-/m1/s1.

What are the key properties of 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide?

3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 476.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 69228795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).