N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

C19H19F3N2O3 — CID 108933708

IUPACN-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H19F3N2O3/c1-12-3-8-16(9-13(12)2)27-11-17(25)23-10-14-4-6-15(7-5-14)24-18(26)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAYFYGFWVBHYTJK-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.50
Rot. Bonds6

About N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 108933708) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID108933708
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1C
InChIInChI=1S/C19H19F3N2O3/c1-12-3-8-16(9-13(12)2)27-11-17(25)23-10-14-4-6-15(7-5-14)24-18(26)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyAYFYGFWVBHYTJK-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923167
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812
tert-butyl N-[3-[[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108920493
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
2,2,2-trifluoro-N-[3-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108934485
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 46760396
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 5007614
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-fluorophenyl)urea
CID 2978395

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide (CID 108933708) is N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is Cc1ccc(OCC(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1C.
What is the InChIKey of N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is AYFYGFWVBHYTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12-3-8-16(9-13(12)2)27-11-17(25)23-10-14-4-6-15(7-5-14)24-18(26)19(20,21)22/h3-9H,10-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 380.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108933708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).