3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide

C20H23ClN2O — CID 59643744

IUPAC3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-13-11-14(2)19(23-9-4-5-10-23)15(3)18(13)22-20(24)16-7-6-8-17(21)12-16/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,22,24)
InChIKeyDNFZRVLZJKUHPU-UHFFFAOYSA-N
MW342.87 g/mol
LogP5.12
Rot. Bonds3

About 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide

3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 59643744) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID59643744
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-13-11-14(2)19(23-9-4-5-10-23)15(3)18(13)22-20(24)16-7-6-8-17(21)12-16/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,22,24)
InChIKeyDNFZRVLZJKUHPU-UHFFFAOYSA-N
XLogP5.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643693
4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643639
2-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)cyclohepta-1,5-diene-1-carboxamide
CID 88566002
3-chloro-N-pyrrolidin-1-ylbenzamide
CID 54164805
3-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87604418
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
3-chloro-N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122357054
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide (CID 59643744) is 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide is Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is DNFZRVLZJKUHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13-11-14(2)19(23-9-4-5-10-23)15(3)18(13)22-20(24)16-7-6-8-17(21)12-16/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,22,24).
What are the key properties of 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 342.87 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 59643744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).