2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C19H21FN2O — CID 42155264

IUPAC2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN2O/c1-14-11-17(22-9-2-3-10-22)7-8-18(14)21-19(23)13-15-5-4-6-16(20)12-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)
InChIKeySNXKKCKWNMHLLE-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.92
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 42155264) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID42155264
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C19H21FN2O/c1-14-11-17(22-9-2-3-10-22)7-8-18(14)21-19(23)13-15-5-4-6-16(20)12-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23)
InChIKeySNXKKCKWNMHLLE-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.92
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 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 42155264) is 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is SNXKKCKWNMHLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-14-11-17(22-9-2-3-10-22)7-8-18(14)21-19(23)13-15-5-4-6-16(20)12-15/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,23).
What are the key properties of 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 42155264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).