3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C22H25ClFN3O2 — CID 119741762

About 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119741762) has the molecular formula C22H25ClFN3O2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
• PubChem CID: 119741762
• Molecular Formula: C22H25ClFN3O2
• Molecular Weight: 417.91 g/mol
• Exact Mass: 417.16
• IUPAC Name: 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
• SMILES: Cl.NC1C2CCC(C2)C1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
• InChI: InChI=1S/C22H24FN3O2.ClH/c23-17-5-2-4-16(11-17)21(27)26-18-6-1-3-13(9-18)12-25-22(28)19-14-7-8-15(10-14)20(19)24;/h1-6,9,11,14-15,19-20H,7-8,10,12,24H2,(H,25,28)(H,26,27);1H
• InChIKey: HZFKTQZAVRAMDH-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 84.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.91
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?

The IUPAC name of 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119741762) is 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

What is the SMILES notation for 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?

The canonical SMILES for 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1.

What is the InChIKey of 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?

The InChIKey is HZFKTQZAVRAMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2.ClH/c23-17-5-2-4-16(11-17)21(27)26-18-6-1-3-13(9-18)12-25-22(28)19-14-7-8-15(10-14)20(19)24;/h1-6,9,11,14-15,19-20H,7-8,10,12,24H2,(H,25,28)(H,26,27);1H.

What are the key properties of 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?

3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 417.91 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119741762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).