N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide

C21H19ClFN3O2 — CID 139489285

About N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide (PubChem CID 139489285) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
• PubChem CID: 139489285
• Molecular Formula: C21H19ClFN3O2
• Molecular Weight: 399.85 g/mol
• Exact Mass: 399.11
• IUPAC Name: N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
• SMILES: Cc1cc(C(=O)Nc2cccc([C@@H](C)Oc3cc(Cl)cnc3N)c2)ccc1F
• InChI: InChI=1S/C21H19ClFN3O2/c1-12-8-15(6-7-18(12)23)21(27)26-17-5-3-4-14(9-17)13(2)28-19-10-16(22)11-25-20(19)24/h3-11,13H,1-2H3,(H2,24,25)(H,26,27)/t13-/m1/s1
• InChIKey: OCZHQVUYNBRDLI-CYBMUJFWSA-N
• XLogP: 5.16
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.85
LogP ≤ 5	5.16
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]-4-fluoro-3-methylbenzamide?

The IUPAC name of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide (CID 139489285) is N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide.

What is the SMILES notation for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide?

The canonical SMILES for N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide is Cc1cc(C(=O)Nc2cccc([C@@H](C)Oc3cc(Cl)cnc3N)c2)ccc1F.

What is the InChIKey of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide?

The InChIKey is OCZHQVUYNBRDLI-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-12-8-15(6-7-18(12)23)21(27)26-17-5-3-4-14(9-17)13(2)28-19-10-16(22)11-25-20(19)24/h3-11,13H,1-2H3,(H2,24,25)(H,26,27)/t13-/m1/s1.

What are the key properties of N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide?

N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide has a molecular weight of 399.85 g/mol, XLogP of 5.16, 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]-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 139489285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).