N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide

C18H19F3N2O2 — CID 55506183

IUPACN-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccccc2OCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-13-6-8-14(9-7-13)10-23-17(24)11-22-15-4-2-3-5-16(15)25-12-18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24)
InChIKeyCAWBHJAUXRCVTI-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.66
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide

N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide (PubChem CID 55506183) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
PubChem CID55506183
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
SMILESCc1ccc(CNC(=O)CNc2ccccc2OCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-13-6-8-14(9-7-13)10-23-17(24)11-22-15-4-2-3-5-16(15)25-12-18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24)
InChIKeyCAWBHJAUXRCVTI-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602
N-[(4-fluorophenyl)methyl]-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644517
2-(2-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 54776459
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 86920518
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24656372
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595
N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide (CID 55506183) is N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide is Cc1ccc(CNC(=O)CNc2ccccc2OCC(F)(F)F)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
The InChIKey is CAWBHJAUXRCVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-13-6-8-14(9-7-13)10-23-17(24)11-22-15-4-2-3-5-16(15)25-12-18(19,20)21/h2-9,22H,10-12H2,1H3,(H,23,24).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide?
N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide has a molecular weight of 352.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide is sourced from PubChem (CID 55506183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).