2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide

C21H15F6N3O2 — CID 74394698

IUPAC2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide
SMILESNC(Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C21H15F6N3O2/c22-14-8-16(24)18(9-15(14)23)30-20(31)17(28)7-11-1-4-13(5-2-11)32-19-6-3-12(10-29-19)21(25,26)27/h1-6,8-10,17H,7,28H2,(H,30,31)
InChIKeyCWIPVZSFCFDIJM-UHFFFAOYSA-N
MW455.36 g/mol
LogP4.82
Rot. Bonds6

About 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide

2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide (PubChem CID 74394698) has the molecular formula C21H15F6N3O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide
PubChem CID74394698
Molecular FormulaC21H15F6N3O2
Molecular Weight455.36 g/mol
Exact Mass455.11
IUPAC Name2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide
SMILESNC(Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C21H15F6N3O2/c22-14-8-16(24)18(9-15(14)23)30-20(31)17(28)7-11-1-4-13(5-2-11)32-19-6-3-12(10-29-19)21(25,26)27/h1-6,8-10,17H,7,28H2,(H,30,31)
InChIKeyCWIPVZSFCFDIJM-UHFFFAOYSA-N
XLogP4.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(3,4,5-trifluorophenyl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 25141925
butyl 2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanoate
CID 150451015
(2S)-2-amino-N-(4-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide;bis(2,2,2-trifluoroacetic acid)
CID 25143393
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176606
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629
2-amino-N-(3-fluorophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]propanamide
CID 70302129
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
3-amino-2-methyl-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]butanamide
CID 120503762
methyl (2S)-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 11180979
2-hydroxy-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]butanenitrile
CID 122698282

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide?
The IUPAC name of 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide (CID 74394698) is 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide is NC(Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide?
The InChIKey is CWIPVZSFCFDIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N3O2/c22-14-8-16(24)18(9-15(14)23)30-20(31)17(28)7-11-1-4-13(5-2-11)32-19-6-3-12(10-29-19)21(25,26)27/h1-6,8-10,17H,7,28H2,(H,30,31).
What are the key properties of 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide?
2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide has a molecular weight of 455.36 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 74394698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).