2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C17H13F6NO — CID 26241577

IUPAC2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6NO/c18-16(19,20)13-5-1-3-11(7-13)9-15(25)24-10-12-4-2-6-14(8-12)17(21,22)23/h1-8H,9-10H2,(H,24,25)
InChIKeyATDGVSFTMIRCTN-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.58
Rot. Bonds4

About 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 26241577) has the molecular formula C17H13F6NO and a molecular weight of 361.29 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID26241577
Molecular FormulaC17H13F6NO
Molecular Weight361.29 g/mol
Exact Mass361.09
IUPAC Name2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F6NO/c18-16(19,20)13-5-1-3-11(7-13)9-15(25)24-10-12-4-2-6-14(8-12)17(21,22)23/h1-8H,9-10H2,(H,24,25)
InChIKeyATDGVSFTMIRCTN-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46512922
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69341997
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfonylacetic acid
CID 3767269
N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69342971
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 26241577) is 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ATDGVSFTMIRCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO/c18-16(19,20)13-5-1-3-11(7-13)9-15(25)24-10-12-4-2-6-14(8-12)17(21,22)23/h1-8H,9-10H2,(H,24,25).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 361.29 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 26241577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).