4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide

C20H24N2O — CID 960697

IUPAC4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-15(2)16-5-7-17(8-6-16)20(23)21-18-9-11-19(12-10-18)22-13-3-4-14-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyOKNSWLDMNDMWLP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.66
Rot. Bonds4

About 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 960697) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID960697
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-15(2)16-5-7-17(8-6-16)20(23)21-18-9-11-19(12-10-18)22-13-3-4-14-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyOKNSWLDMNDMWLP-UHFFFAOYSA-N
XLogP4.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.66
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-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 26018303
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 960697) is 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide is CC(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is OKNSWLDMNDMWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15(2)16-5-7-17(8-6-16)20(23)21-18-9-11-19(12-10-18)22-13-3-4-14-22/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 308.43 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 960697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).