N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C22H17F6N3O2 — CID 155768249

IUPACN-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1
InChIInChI=1S/C22H17F6N3O2/c23-21(24,25)16-7-3-13(4-8-16)11-18(32)31(17-9-10-17)12-14-1-5-15(6-2-14)19-29-20(33-30-19)22(26,27)28/h1-8,17H,9-12H2
InChIKeyHEIQVAJLSCQNNB-UHFFFAOYSA-N
MW469.39 g/mol
LogP5.51
Rot. Bonds6

About N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 155768249) has the molecular formula C22H17F6N3O2 and a molecular weight of 469.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID155768249
Molecular FormulaC22H17F6N3O2
Molecular Weight469.39 g/mol
Exact Mass469.12
IUPAC NameN-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1
InChIInChI=1S/C22H17F6N3O2/c23-21(24,25)16-7-3-13(4-8-16)11-18(32)31(17-9-10-17)12-14-1-5-15(6-2-14)19-29-20(33-30-19)22(26,27)28/h1-8,17H,9-12H2
InChIKeyHEIQVAJLSCQNNB-UHFFFAOYSA-N
XLogP5.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 155768569
N-cyclopropyl-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768332
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
N-cyclohexyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71557005
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide
CID 155768574
(1E)-2-[cyclopropyl-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]-N-methoxy-2-oxoethanimidoyl cyanide
CID 137366700
(2Z)-N-cyclopropyl-2-methoxyimino-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 137366718
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139509769
N-(cyclopropylmethyl)-3,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155768422
N-ethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopentanecarboxamide
CID 155768428
N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 155768651

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 155768249) is N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HEIQVAJLSCQNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N3O2/c23-21(24,25)16-7-3-13(4-8-16)11-18(32)31(17-9-10-17)12-14-1-5-15(6-2-14)19-29-20(33-30-19)22(26,27)28/h1-8,17H,9-12H2.
What are the key properties of N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 469.39 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 155768249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).