N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide

C18H20N2O — CID 168513530

IUPACN-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCNC(=O)c1cccc(-c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C18H20N2O/c1-19-18(21)16-6-4-5-15(13-16)14-7-9-17(10-8-14)20-11-2-3-12-20/h4-10,13H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyMWGGIHQODURPQP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.31
Rot. Bonds3

About N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide

N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 168513530) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID168513530
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCNC(=O)c1cccc(-c2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C18H20N2O/c1-19-18(21)16-6-4-5-15(13-16)14-7-9-17(10-8-14)20-11-2-3-12-20/h4-10,13H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyMWGGIHQODURPQP-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
3-(4-formamidophenyl)-N-methylbenzamide
CID 168653692
3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
CID 58940727
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054
N-(2,6-dipyrrolidin-1-ylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 167747025
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide (CID 168513530) is N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide is CNC(=O)c1cccc(-c2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is MWGGIHQODURPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-18(21)16-6-4-5-15(13-16)14-7-9-17(10-8-14)20-11-2-3-12-20/h4-10,13H,2-3,11-12H2,1H3,(H,19,21).
What are the key properties of N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide?
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 168513530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).