3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide

C23H27Cl2N3O2 — CID 44568309

IUPAC3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESCN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2)C1
InChIInChI=1S/C23H27Cl2N3O2/c1-27-10-9-20(15-27)30-19-5-2-16(3-6-19)13-28-11-8-18(14-28)26-23(29)17-4-7-21(24)22(25)12-17/h2-7,12,18,20H,8-11,13-15H2,1H3,(H,26,29)
InChIKeyISEUXOPGKHVZKT-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.08
Rot. Bonds6

About 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide

3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide (PubChem CID 44568309) has the molecular formula C23H27Cl2N3O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide
PubChem CID44568309
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39 g/mol
Exact Mass447.15
IUPAC Name3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide
SMILESCN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2)C1
InChIInChI=1S/C23H27Cl2N3O2/c1-27-10-9-20(15-27)30-19-5-2-16(3-6-19)13-28-11-8-18(14-28)26-23(29)17-4-7-21(24)22(25)12-17/h2-7,12,18,20H,8-11,13-15H2,1H3,(H,26,29)
InChIKeyISEUXOPGKHVZKT-UHFFFAOYSA-N
XLogP4.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide (CID 44568309) is 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide is CN1CCC(Oc2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)C3)cc2)C1.
What is the InChIKey of 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is ISEUXOPGKHVZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2/c1-27-10-9-20(15-27)30-19-5-2-16(3-6-19)13-28-11-8-18(14-28)26-23(29)17-4-7-21(24)22(25)12-17/h2-7,12,18,20H,8-11,13-15H2,1H3,(H,26,29).
What are the key properties of 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide?
3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 448.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-[[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 44568309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).