N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide

C21H17ClF3N3O2 — CID 139489207

About N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 139489207) has the molecular formula C21H17ClF3N3O2 and a molecular weight of 435.83 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 139489207
• Molecular Formula: C21H17ClF3N3O2
• Molecular Weight: 435.83 g/mol
• Exact Mass: 435.10
• IUPAC Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: C[C@@H](Oc1cc(Cl)cnc1N)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C21H17ClF3N3O2/c1-12(30-18-10-16(22)11-27-19(18)26)13-4-3-7-17(9-13)28-20(29)14-5-2-6-15(8-14)21(23,24)25/h2-12H,1H3,(H2,26,27)(H,28,29)/t12-/m1/s1
• InChIKey: WVDMEMBFPUCMNX-GFCCVEGCSA-N
• XLogP: 5.73
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.83
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide (CID 139489207) is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide is C[C@@H](Oc1cc(Cl)cnc1N)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.

What is the InChIKey of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is WVDMEMBFPUCMNX-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H17ClF3N3O2/c1-12(30-18-10-16(22)11-27-19(18)26)13-4-3-7-17(9-13)28-20(29)14-5-2-6-15(8-14)21(23,24)25/h2-12H,1H3,(H2,26,27)(H,28,29)/t12-/m1/s1.

What are the key properties of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide?

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 435.83 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 139489207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).