N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide

C16H15F3N2O2 — CID 73253844

IUPACN-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3N2O2/c1-11(22)21-14-7-5-13(6-8-14)20-10-12-3-2-4-15(9-12)23-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyZIALNCNQVVFXAH-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide

N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide (PubChem CID 73253844) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
PubChem CID73253844
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3N2O2/c1-11(22)21-14-7-5-13(6-8-14)20-10-12-3-2-4-15(9-12)23-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyZIALNCNQVVFXAH-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenoxy]propanoic acid
CID 142113374
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 103824040
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
3-(tert-butylamino)-4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 18922802
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide (CID 73253844) is N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide?
The InChIKey is ZIALNCNQVVFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-11(22)21-14-7-5-13(6-8-14)20-10-12-3-2-4-15(9-12)23-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22).
What are the key properties of N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide?
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide has a molecular weight of 324.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 73253844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).