3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide

C23H29ClN2O3 — CID 11654614

IUPAC3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(Cl)c(OC)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C23H29ClN2O3/c1-23(2,26-14-8-9-15-26)21(16-10-6-5-7-11-16)25-22(27)19-18(28-3)13-12-17(24)20(19)29-4/h5-7,10-13,21H,8-9,14-15H2,1-4H3,(H,25,27)
InChIKeyKACQCFQEGMGOHY-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.70
Rot. Bonds7

About 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide

3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 11654614) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
PubChem CID11654614
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
SMILESCOc1ccc(Cl)c(OC)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C23H29ClN2O3/c1-23(2,26-14-8-9-15-26)21(16-10-6-5-7-11-16)25-22(27)19-18(28-3)13-12-17(24)20(19)29-4/h5-7,10-13,21H,8-9,14-15H2,1-4H3,(H,25,27)
InChIKeyKACQCFQEGMGOHY-UHFFFAOYSA-N
XLogP4.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide (CID 11654614) is 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide is COc1ccc(Cl)c(OC)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1.
What is the InChIKey of 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is KACQCFQEGMGOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-23(2,26-14-8-9-15-26)21(16-10-6-5-7-11-16)25-22(27)19-18(28-3)13-12-17(24)20(19)29-4/h5-7,10-13,21H,8-9,14-15H2,1-4H3,(H,25,27).
What are the key properties of 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide?
3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 416.95 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethoxy-N-(2-methyl-1-phenyl-2-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 11654614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).