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

C24H30FN3O — CID 59401765

IUPAC5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
SMILESCc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1
InChIKeyRTNOWHVTNCEMDM-WIYYLYMNSA-N
MW395.52 g/mol
LogP4.76
Rot. Bonds4

About 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide

5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 59401765) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
PubChem CID59401765
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
SMILESCc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C
InChIInChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1
InChIKeyRTNOWHVTNCEMDM-WIYYLYMNSA-N
XLogP4.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.76
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 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide (CID 59401765) is 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide is Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is RTNOWHVTNCEMDM-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)/t18-,21-/m1/s1.
What are the key properties of 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide?
5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 395.52 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 59401765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).