N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

C22H19F5N6O2 — CID 10239095

About N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide

N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide (PubChem CID 10239095) has the molecular formula C22H19F5N6O2 and a molecular weight of 494.42 g/mol. Its IUPAC name is N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
• PubChem CID: 10239095
• Molecular Formula: C22H19F5N6O2
• Molecular Weight: 494.42 g/mol
• Exact Mass: 494.15
• IUPAC Name: N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
• SMILES: C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F
• InChI: InChI=1S/C22H19F5N6O2/c1-11(28-19(34)21(8-9-21)29-20(35)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18-30-32-33(2)31-18/h3-7,10-11H,8-9H2,1-2H3,(H,28,34)(H,29,35)/t11-/m1/s1
• InChIKey: WZBRAQXLQDHOKB-LLVKDONJSA-N
• XLogP: 3.21
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.42
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

The IUPAC name of N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide (CID 10239095) is N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

The canonical SMILES for N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1(NC(=O)C(F)(F)F)CC1)c1ccc(-c2cccc(F)c2-c2nnn(C)n2)cc1F.

What is the InChIKey of N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

The InChIKey is WZBRAQXLQDHOKB-LLVKDONJSA-N. The full InChI is InChI=1S/C22H19F5N6O2/c1-11(28-19(34)21(8-9-21)29-20(35)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18-30-32-33(2)31-18/h3-7,10-11H,8-9H2,1-2H3,(H,28,34)(H,29,35)/t11-/m1/s1.

What are the key properties of N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide?

N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide has a molecular weight of 494.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 10239095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).