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

C26H28N2O — CID 59643639

IUPAC4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-18-17-19(2)25(28-15-7-8-16-28)20(3)24(18)27-26(29)23-13-11-22(12-14-23)21-9-5-4-6-10-21/h4-6,9-14,17H,7-8,15-16H2,1-3H3,(H,27,29)
InChIKeyMLVIZLVESJWXEF-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.13
Rot. Bonds4

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

4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 59643639) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID59643639
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-18-17-19(2)25(28-15-7-8-16-28)20(3)24(18)27-26(29)23-13-11-22(12-14-23)21-9-5-4-6-10-21/h4-6,9-14,17H,7-8,15-16H2,1-3H3,(H,27,29)
InChIKeyMLVIZLVESJWXEF-UHFFFAOYSA-N
XLogP6.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643693
3-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide
CID 59643744
3-[(4-fluorobenzoyl)amino]-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 87603974
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
4-[(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)sulfamoyl]benzoic acid
CID 59643651
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177
2-chloro-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)cyclohepta-1,5-diene-1-carboxamide
CID 88566002
4-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 12729541
3-(benzenesulfonamido)-N-(2,4,6-trimethyl-3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 87603776
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide (CID 59643639) is 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide is Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is MLVIZLVESJWXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18-17-19(2)25(28-15-7-8-16-28)20(3)24(18)27-26(29)23-13-11-22(12-14-23)21-9-5-4-6-10-21/h4-6,9-14,17H,7-8,15-16H2,1-3H3,(H,27,29).
What are the key properties of 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide?
4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 384.52 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 59643639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).