N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid

C18H19FN2O3 — CID 175088163

IUPACN-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid
SMILESO=C(NC1CNCC1F)c1ccc(-c2ccccc2)cc1.O=CO
InChIInChI=1S/C17H17FN2O.CH2O2/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-16,19H,10-11H2,(H,20,21);1H,(H,2,3)
InChIKeySREPBJZLLXLCCS-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.09
Rot. Bonds3

About N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid

N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid (PubChem CID 175088163) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid.

Molecular Properties

Compound NameN-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid
PubChem CID175088163
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid
SMILESO=C(NC1CNCC1F)c1ccc(-c2ccccc2)cc1.O=CO
InChIInChI=1S/C17H17FN2O.CH2O2/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-16,19H,10-11H2,(H,20,21);1H,(H,2,3)
InChIKeySREPBJZLLXLCCS-UHFFFAOYSA-N
XLogP2.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?
The IUPAC name of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid (CID 175088163) is N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid.
What is the SMILES notation for N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?
The canonical SMILES for N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid is O=C(NC1CNCC1F)c1ccc(-c2ccccc2)cc1.O=CO.
What is the InChIKey of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?
The InChIKey is SREPBJZLLXLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O.CH2O2/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12;2-1-3/h1-9,15-16,19H,10-11H2,(H,20,21);1H,(H,2,3).
What are the key properties of N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid?
N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid has a molecular weight of 330.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid is sourced from PubChem (CID 175088163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).