(1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C22H22FN3O — CID 51933520

About (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 51933520) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 51933520
• Molecular Formula: C22H22FN3O
• Molecular Weight: 363.44 g/mol
• Exact Mass: 363.17
• IUPAC Name: (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F
• InChI: InChI=1S/C22H22FN3O/c1-26-14-13-24-21(26)20(18-10-4-5-12-19(18)23)25-22(27)17-11-6-8-15-7-2-3-9-16(15)17/h2-5,7,9-10,12-14,17,20H,6,8,11H2,1H3,(H,25,27)/t17-,20+/m1/s1
• InChIKey: HOXASFDOAUNFRJ-XLIONFOSSA-N
• XLogP: 3.88
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.44
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The IUPAC name of (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 51933520) is (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

What is the SMILES notation for (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The canonical SMILES for (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1F.

What is the InChIKey of (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The InChIKey is HOXASFDOAUNFRJ-XLIONFOSSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-26-14-13-24-21(26)20(18-10-4-5-12-19(18)23)25-22(27)17-11-6-8-15-7-2-3-9-16(15)17/h2-5,7,9-10,12-14,17,20H,6,8,11H2,1H3,(H,25,27)/t17-,20+/m1/s1.

What are the key properties of (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

(1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 51933520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).