N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide

C18H19F3N2O — CID 42955452

IUPACN-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c1-12(15-5-7-16(8-6-15)18(19,20)21)22-11-14-3-9-17(10-4-14)23-13(2)24/h3-10,12,22H,11H2,1-2H3,(H,23,24)
InChIKeyXPBSRAAPULSJFI-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.51
Rot. Bonds5

About N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide

N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide (PubChem CID 42955452) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
PubChem CID42955452
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC(C)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O/c1-12(15-5-7-16(8-6-15)18(19,20)21)22-11-14-3-9-17(10-4-14)23-13(2)24/h3-10,12,22H,11H2,1-2H3,(H,23,24)
InChIKeyXPBSRAAPULSJFI-UHFFFAOYSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]amino]methyl]phenyl]acetamide
CID 52502800
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8611022
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
(4-acetamidophenyl) 3-[4-(trifluoromethyl)phenyl]butanoate
CID 60584071
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66414353

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide (CID 42955452) is N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC(C)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide?
The InChIKey is XPBSRAAPULSJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-12(15-5-7-16(8-6-15)18(19,20)21)22-11-14-3-9-17(10-4-14)23-13(2)24/h3-10,12,22H,11H2,1-2H3,(H,23,24).
What are the key properties of N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide?
N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide has a molecular weight of 336.36 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[4-(trifluoromethyl)phenyl]ethylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 42955452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).