N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

C18H19F3N2O2 — CID 87029555

IUPACN-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-23(11-14-5-3-2-4-6-14)16-9-7-15(8-10-16)22-17(24)12-25-13-18(19,20)21/h2-10H,11-13H2,1H3,(H,22,24)
InChIKeyAVPLGZWICAACMD-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.84
Rot. Bonds7

About N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 87029555) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID87029555
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-23(11-14-5-3-2-4-6-14)16-9-7-15(8-10-16)22-17(24)12-25-13-18(19,20)21/h2-10H,11-13H2,1H3,(H,22,24)
InChIKeyAVPLGZWICAACMD-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106910317
N-[4-[(N-methylanilino)methyl]phenyl]benzamide
CID 170063802
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-[benzyl(methyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 112982300
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
2-[benzyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
CID 119197011
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209883

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 87029555) is N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is CN(Cc1ccccc1)c1ccc(NC(=O)COCC(F)(F)F)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AVPLGZWICAACMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-23(11-14-5-3-2-4-6-14)16-9-7-15(8-10-16)22-17(24)12-25-13-18(19,20)21/h2-10H,11-13H2,1H3,(H,22,24).
What are the key properties of N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 352.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]phenyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 87029555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).