3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

C20H22Cl2N2O2 — CID 55415889

IUPAC3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-23(20(25)15-11-16(21)19(26-2)17(22)12-15)13-14-7-3-4-8-18(14)24-9-5-6-10-24/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3
InChIKeyXSRZYHMPNLAMAX-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.87
Rot. Bonds5

About 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide

3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 55415889) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID55415889
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-23(20(25)15-11-16(21)19(26-2)17(22)12-15)13-14-7-3-4-8-18(14)24-9-5-6-10-24/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3
InChIKeyXSRZYHMPNLAMAX-UHFFFAOYSA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
3-(dimethylsulfamoyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 43017886
3-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645506
4-(azepan-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 31645452
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
2-chloro-N-[2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551605
4-(methanesulfonamido)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35437808
4-(benzenesulfonamido)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 24551665

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 55415889) is 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is COc1c(Cl)cc(C(=O)N(C)Cc2ccccc2N2CCCC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is XSRZYHMPNLAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-23(20(25)15-11-16(21)19(26-2)17(22)12-15)13-14-7-3-4-8-18(14)24-9-5-6-10-24/h3-4,7-8,11-12H,5-6,9-10,13H2,1-2H3.
What are the key properties of 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide?
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 393.31 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 55415889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).