2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide

C18H17F3N2O3 — CID 108933812

IUPAC2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-12-2-8-15(9-3-12)26-11-16(24)23-14-6-4-13(5-7-14)10-22-17(25)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyKFAWPHXJONGDCJ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.19
Rot. Bonds6

About 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide (PubChem CID 108933812) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
PubChem CID108933812
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-12-2-8-15(9-3-12)26-11-16(24)23-14-6-4-13(5-7-14)10-22-17(25)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyKFAWPHXJONGDCJ-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933708
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
CID 66539248
2,2,2-trifluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 108933509
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 112505285
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 2992862
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide (CID 108933812) is 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(CNC(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
The InChIKey is KFAWPHXJONGDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-12-2-8-15(9-3-12)26-11-16(24)23-14-6-4-13(5-7-14)10-22-17(25)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide has a molecular weight of 366.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 108933812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).