3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide

C19H22N2O — CID 923710

IUPAC3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O/c1-14-11-15(2)13-16(12-14)19(22)20-17-5-7-18(8-6-17)21-9-3-4-10-21/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyKGGUAHIBXZMPLA-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.16
Rot. Bonds3

About 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide

3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 923710) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID923710
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C19H22N2O/c1-14-11-15(2)13-16(12-14)19(22)20-17-5-7-18(8-6-17)21-9-3-4-10-21/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyKGGUAHIBXZMPLA-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 923710) is 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is KGGUAHIBXZMPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-11-15(2)13-16(12-14)19(22)20-17-5-7-18(8-6-17)21-9-3-4-10-21/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
3,5-dimethyl-N-(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 3,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 923710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).