2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide

C24H20F3NO4 — CID 162047234

IUPAC2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3NO4/c1-31-20-11-6-12-21(32-2)22(20)23(30)28-18-10-4-3-9-17(18)19(29)14-15-7-5-8-16(13-15)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyYYBCFINWDNJIDP-UHFFFAOYSA-N
MW443.42 g/mol
LogP5.40
Rot. Bonds7

About 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide

2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide (PubChem CID 162047234) has the molecular formula C24H20F3NO4 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
PubChem CID162047234
Molecular FormulaC24H20F3NO4
Molecular Weight443.42 g/mol
Exact Mass443.13
IUPAC Name2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3NO4/c1-31-20-11-6-12-21(32-2)22(20)23(30)28-18-10-4-3-9-17(18)19(29)14-15-7-5-8-16(13-15)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyYYBCFINWDNJIDP-UHFFFAOYSA-N
XLogP5.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-1,2-oxazole-5-carboxamide
CID 152924749
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]pentanamide
CID 149202431
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3H-indole-4-carboxamide
CID 149040508
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
tert-butyl 4-[2-[2-[[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]carbamoyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 149493673
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767549
2,6-dimethoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933413
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013869
N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 147729702
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide (CID 162047234) is 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide?
The InChIKey is YYBCFINWDNJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO4/c1-31-20-11-6-12-21(32-2)22(20)23(30)28-18-10-4-3-9-17(18)19(29)14-15-7-5-8-16(13-15)24(25,26)27/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide?
2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide has a molecular weight of 443.42 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]benzamide is sourced from PubChem (CID 162047234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).