4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide

C22H25FN2O — CID 46862974

IUPAC4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C
InChIInChI=1S/C22H25FN2O/c1-15-14-17(23)8-9-19(15)21(26)24-20(16-6-4-3-5-7-16)22-12-10-18(11-13-22)25(22)2/h3-9,14,18,20H,10-13H2,1-2H3,(H,24,26)
InChIKeyXWQNWYKEXIJIEY-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.23
Rot. Bonds4

About 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide

4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide (PubChem CID 46862974) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide
PubChem CID46862974
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C
InChIInChI=1S/C22H25FN2O/c1-15-14-17(23)8-9-19(15)21(26)24-20(16-6-4-3-5-7-16)22-12-10-18(11-13-22)25(22)2/h3-9,14,18,20H,10-13H2,1-2H3,(H,24,26)
InChIKeyXWQNWYKEXIJIEY-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide (CID 46862974) is 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide is Cc1cc(F)ccc1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
The InChIKey is XWQNWYKEXIJIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-15-14-17(23)8-9-19(15)21(26)24-20(16-6-4-3-5-7-16)22-12-10-18(11-13-22)25(22)2/h3-9,14,18,20H,10-13H2,1-2H3,(H,24,26).
What are the key properties of 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide?
4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide has a molecular weight of 352.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 46862974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).