2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide

C23H28F2N2O2 — CID 59347797

IUPAC2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide
SMILESCOc1cc(F)cc(F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1C
InChIInChI=1S/C23H28F2N2O2/c1-15-9-8-12-27(15)23(2,3)21(16-10-6-5-7-11-16)26-22(28)20-18(25)13-17(24)14-19(20)29-4/h5-7,10-11,13-15,21H,8-9,12H2,1-4H3,(H,26,28)
InChIKeyMJZKQUVTBOKDCS-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.71
Rot. Bonds6

About 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide

2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide (PubChem CID 59347797) has the molecular formula C23H28F2N2O2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide
PubChem CID59347797
Molecular FormulaC23H28F2N2O2
Molecular Weight402.49 g/mol
Exact Mass402.21
IUPAC Name2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide
SMILESCOc1cc(F)cc(F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1C
InChIInChI=1S/C23H28F2N2O2/c1-15-9-8-12-27(15)23(2,3)21(16-10-6-5-7-11-16)26-22(28)20-18(25)13-17(24)14-19(20)29-4/h5-7,10-11,13-15,21H,8-9,12H2,1-4H3,(H,26,28)
InChIKeyMJZKQUVTBOKDCS-UHFFFAOYSA-N
XLogP4.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide?
The IUPAC name of 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide (CID 59347797) is 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide?
The canonical SMILES for 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide is COc1cc(F)cc(F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1C.
What is the InChIKey of 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide?
The InChIKey is MJZKQUVTBOKDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2/c1-15-9-8-12-27(15)23(2,3)21(16-10-6-5-7-11-16)26-22(28)20-18(25)13-17(24)14-19(20)29-4/h5-7,10-11,13-15,21H,8-9,12H2,1-4H3,(H,26,28).
What are the key properties of 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide?
2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-methoxy-N-[2-methyl-2-(2-methylpyrrolidin-1-yl)-1-phenylpropyl]benzamide is sourced from PubChem (CID 59347797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).