2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide

C22H26FN3O — CID 59401865

IUPAC2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1
InChIInChI=1S/C22H26FN3O/c1-16-5-4-13-26(16)19-12-14-25(15-19)18-10-8-17(9-11-18)24-22(27)20-6-2-3-7-21(20)23/h2-3,6-11,16,19H,4-5,12-15H2,1H3,(H,24,27)
InChIKeyYKWKDJKRPXBHQV-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.14
Rot. Bonds4

About 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide

2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 59401865) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID59401865
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
SMILESCC1CCCN1C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1
InChIInChI=1S/C22H26FN3O/c1-16-5-4-13-26(16)19-12-14-25(15-19)18-10-8-17(9-11-18)24-22(27)20-6-2-3-7-21(20)23/h2-3,6-11,16,19H,4-5,12-15H2,1H3,(H,24,27)
InChIKeyYKWKDJKRPXBHQV-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide (CID 59401865) is 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is CC1CCCN1C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1.
What is the InChIKey of 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is YKWKDJKRPXBHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-16-5-4-13-26(16)19-12-14-25(15-19)18-10-8-17(9-11-18)24-22(27)20-6-2-3-7-21(20)23/h2-3,6-11,16,19H,4-5,12-15H2,1H3,(H,24,27).
What are the key properties of 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide?
2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 59401865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).