4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide

C19H22N2O — CID 42157583

IUPAC4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1
InChIInChI=1S/C19H22N2O/c1-14-5-7-16(8-6-14)19(22)20-18-10-9-17(13-15(18)2)21-11-3-4-12-21/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyAXPCLPBWTKUPFW-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.16
Rot. Bonds3

About 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide

4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 42157583) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID42157583
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1
InChIInChI=1S/C19H22N2O/c1-14-5-7-16(8-6-14)19(22)20-18-10-9-17(13-15(18)2)21-11-3-4-12-21/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22)
InChIKeyAXPCLPBWTKUPFW-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 21173697
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide (CID 42157583) is 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is AXPCLPBWTKUPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-5-7-16(8-6-14)19(22)20-18-10-9-17(13-15(18)2)21-11-3-4-12-21/h5-10,13H,3-4,11-12H2,1-2H3,(H,20,22).
What are the key properties of 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide?
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 294.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 42157583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).